Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C19H26N3S |
| Molecular Weight | 328.495 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 3 |
| E/Z Centers | 0 |
| Charge | 1 |
SHOW SMILES / InChI
SMILES
C1[C@@H]2CCCC[C@H]2C[N+]13CCN(CC3)C4=NSC5=C4C=CC=C5
InChI
InChIKey=JSESYQAOCIUYJH-HOTGVXAUSA-N
InChI=1S/C19H26N3S/c1-2-6-16-14-22(13-15(16)5-1)11-9-21(10-12-22)19-17-7-3-4-8-18(17)23-20-19/h3-4,7-8,15-16H,1-2,5-6,9-14H2/q+1/t15-,16-/m0/s1
| Molecular Formula | C19H26N3S |
| Molecular Weight | 328.495 |
| Charge | 1 |
| Count |
|
| Stereochemistry | EPIMERIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 3 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 23:21:39 GMT 2025
by
admin
on
Mon Mar 31 23:21:39 GMT 2025
|
| Record UNII |
MRN98Z3TAM
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
|
Common Name | English | ||
|
Preferred Name | English | ||
|
Systematic Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
186204-36-4
Created by
admin on Mon Mar 31 23:21:39 GMT 2025 , Edited by admin on Mon Mar 31 23:21:39 GMT 2025
|
PRIMARY | |||
|
58097943
Created by
admin on Mon Mar 31 23:21:39 GMT 2025 , Edited by admin on Mon Mar 31 23:21:39 GMT 2025
|
PRIMARY | |||
|
MRN98Z3TAM
Created by
admin on Mon Mar 31 23:21:39 GMT 2025 , Edited by admin on Mon Mar 31 23:21:39 GMT 2025
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
IONIC MOIETY |
|
||
|
SALT/SOLVATE -> PARENT |
|
![Structure of (3aR,7aR)-4?-(1,2-Benzisothiazol-3-yl)octahydrospiro[2H-isoindole-2,1?-piperazinium]](/img/18f80c52-c94a-45ec-9d8d-aba0464f4b18.svg "Structure of (3aR,7aR)-4?-(1,2-Benzisothiazol-3-yl)octahydrospiro[2H-isoindole-2,1?-piperazinium]")
![Structure of (3aR,7aR)-4'-(1,2-Benzisothiazol-3-yl)octahydrospiro[2H-isoindole-2,1'-piperazinium] methanesulfonate](/img/22da2bff-bb30-4b62-9b30-2810c4f85c4a.svg "Structure of (3aR,7aR)-4'-(1,2-Benzisothiazol-3-yl)octahydrospiro[2H-isoindole-2,1'-piperazinium] methanesulfonate")