1-[(3,4-Dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-2-[3-oxo-3-[[5-[(1-oxo-2-propenyl)oxy]pentyl]oxy]propyl]-isoquinolinium Benzenesulfonate, cis-

Details

Stereochemistry	RACEMIC
Molecular Formula	C32H44NO8.C6H5O3S
Molecular Weight	727.861
Optical Activity	( + / - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-[(3,4-Dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-2-[3-oxo-3-[[5-[(1-oxo-2-propenyl)oxy]pentyl]oxy]propyl]-isoquinolinium Benzenesulfonate, cis-

Structure Search

SMILES

[O-]S(=O)(=O)C1=CC=CC=C1.COC2=CC=C(C[C@H]3C4=C(CC[N@@+]3(C)CCC(=O)OCCCCCOC(=O)C=C)C=C(OC)C(OC)=C4)C=C2OC

InChI

InChIKey=OROOXZDLWOYLAH-XTDYZQQGSA-M

InChI=1S/C32H44NO8.C6H6O3S/c1-7-31(34)40-17-9-8-10-18-41-32(35)14-16-33(2)15-13-24-21-29(38-5)30(39-6)22-25(24)26(33)19-23-11-12-27(36-3)28(20-23)37-4;7-10(8,9)6-4-2-1-3-5-6/h7,11-12,20-22,26H,1,8-10,13-19H2,2-6H3;1-5H,(H,7,8,9)/q+1;/p-1/t26-,33-;/m0./s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

1-[(3,4-Dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-2-[3-oxo-3-[[5-[(1-oxo-2-propenyl)oxy]pentyl]oxy]propyl]-isoquinolinium Benzenesulfonate, cis-

Systematic Name

English

Isoquinolinium, 1-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-2-[3-oxo-3-[[5-[(1-oxo-2-propenyl)oxy]pentyl]oxy]propyl]-, cis-, benzenesulfonate

Preferred Name

English

cis-1-[(3,4-Dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-2-[3-oxo-3-[[5-[(1-oxo-2-propenyl)oxy]pentyl]oxy]propyl]-isoquinolinium Benzenesulfonate

Systematic Name

English

Code System Code Type Description

PUBCHEM

169490786

Created by admin on Wed Apr 02 17:41:34 GMT 2025 , Edited by admin on Wed Apr 02 17:41:34 GMT 2025

PRIMARY

FDA UNII

DVU86L2KRE

Created by admin on Wed Apr 02 17:41:34 GMT 2025 , Edited by admin on Wed Apr 02 17:41:34 GMT 2025

PRIMARY

CAS