Methyl (1R,3R)-1-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate hydrochloride

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H18N2O4.ClH
Molecular Weight	386.829
Optical Activity	( + )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Methyl (1R,3R)-1-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate hydrochloride

Structure Search

SMILES

Cl.COC(=O)[C@H]1CC2=C(NC3=CC=CC=C23)[C@H](N1)C4=CC=C5OCOC5=C4

InChI

InChIKey=ROYJOKDTCKPQHK-KQKCUOLZSA-N

InChI=1S/C20H18N2O4.ClH/c1-24-20(23)15-9-13-12-4-2-3-5-14(12)21-19(13)18(22-15)11-6-7-16-17(8-11)26-10-25-16;/h2-8,15,18,21-22H,9-10H2,1H3;1H/t15-,18-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

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

Molecular Formula	C20H18N2O4
Molecular Weight	350.3679
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	( + )

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 18:19:27 GMT 2025` Edited by `admin` on `Wed Apr 02 18:19:27 GMT 2025`
Record UNII	53F8A8T7V8
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

1H-Pyrido[3,4-b]indole-3-carboxylic acid, 1-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-, methyl ester, hydrochloride (1:1), (1R,3R)-

Preferred Name

English

Methyl (1R,3R)-1-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate hydrochloride

Systematic Name

English

Code System Code Type Description

CAS

1134780-93-0