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Details

Stereochemistry RACEMIC
Molecular Formula C18H22NO.Cl
Molecular Weight 303.826
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(1-METHYL-2-PHENOXYETHYL)-1-(PHENYLMETHYL)AZIRIDINIUM CHLORIDE

SMILES

[Cl-].CC(COC1=CC=CC=C1)[N+]3(CC2=CC=CC=C2)CC3

InChI

InChIKey=UIDOTVSGGUCIOQ-UHFFFAOYSA-M
InChI=1S/C18H22NO.ClH/c1-16(15-20-18-10-6-3-7-11-18)19(12-13-19)14-17-8-4-2-5-9-17;/h2-11,16H,12-15H2,1H3;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula C18H22NO
Molecular Weight 268.3734
Charge 1
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Molecular Formula Cl
Molecular Weight 35.453
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:53:13 GMT 2023
Edited
by admin
on Sat Dec 16 18:53:13 GMT 2023
Record UNII
5M9ZRN9LRY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-(1-METHYL-2-PHENOXYETHYL)-1-(PHENYLMETHYL)AZIRIDINIUM CHLORIDE
Systematic Name English
AZIRIDINIUM, 1-(1-METHYL-2-PHENOXYETHYL)-1-(PHENYLMETHYL)-, CHLORIDE (1:1)
Systematic Name English
AZIRIDINIUM, 1-(1-METHYL-2-PHENOXYETHYL)-1-(PHENYLMETHYL)-, CHLORIDE
Systematic Name English
Code System Code Type Description
PUBCHEM
86136683
Created by admin on Sat Dec 16 18:53:13 GMT 2023 , Edited by admin on Sat Dec 16 18:53:13 GMT 2023
PRIMARY
CAS
98625-15-1
Created by admin on Sat Dec 16 18:53:13 GMT 2023 , Edited by admin on Sat Dec 16 18:53:13 GMT 2023
PRIMARY
FDA UNII
5M9ZRN9LRY
Created by admin on Sat Dec 16 18:53:13 GMT 2023 , Edited by admin on Sat Dec 16 18:53:13 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE