ANNINE-6PLUS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C39H47N3.2Br
Molecular Weight	717.619
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Br-].[Br-].CCCCN(CCCC)C1=CC=C2C(C=CC3=C2C=CC4=C3C=CC5=C4C=CC6=C5C=C[N+](CCC[N+](C)(C)C)=C6)=C1

InChI

InChIKey=LGXPDFMRHWKUGJ-UHFFFAOYSA-L

InChI=1S/C39H47N3.2BrH/c1-6-8-23-41(24-9-7-2)31-13-16-32-29(27-31)11-14-36-34(32)17-19-39-37-15-12-30-28-40(22-10-26-42(3,4)5)25-21-33(30)35(37)18-20-38(36)39;;/h11-21,25,27-28H,6-10,22-24,26H2,1-5H3;2*1H/q+2;;/p-2

HIDE SMILES / InChI

Molecular Formula	Br
Molecular Weight	79.904
Charge	-1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C39H47N3
Molecular Weight	557.8106
Charge	2
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 17:30:44 GMT 2023` Edited by `admin` on `Sat Dec 16 17:30:44 GMT 2023`
Record UNII	ZSR3UB5RG2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ANNINE-6PLUS

Common Name

English

10-(Dibutylamino)-2-[3-(trimethylammonio)propyl]-chryseno[2,1-f]isoquinolinium Bromide (1:2)

Systematic Name

English

CHRYSENO(2,1-F)ISOQUINOLINIUM, 10-(DIBUTYLAMINO)-2-(3-(TRIMETHYLAMMONIO)PROPYL)-, BROMIDE (1:2)

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID20745426