1-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-N,2-bis(phenylmethyl)isoquinolin-2-ium-6-amine bromide

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-N,2-bis(phenylmethyl)isoquinolin-2-ium-6-amine bromide Openeye Name: N,2-dibenzyl-1-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-isoquinolin-2-ium-6-amine bromide CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-N,2-bis(phenylmethyl)-6-isoquinolin-2-iumamine bromide IUPAC Name: N,2-dibenzyl-1-[(3,4-dimethoxyphenyl)methyl]-7-methoxyisoquinolin-2-ium-6-amine bromide Traditional Name: benzyl-(2-benzyl-7-methoxy-1-veratryl-isoquinolin-2-ium-6-yl)amine bromide Formula: C33H33BrN2O3 MolecularWeight: 585.53072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=[N+](C=CC3=CC(=C(C=C32)OC)NCC4=CC=CC=C4)CC5=CC=CC=C5)OC.[Br-]

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=[N+](C=CC3=CC(=C(C=C32)OC)NCC4=CC=CC=C4)CC5=CC=CC=C5)OC.[Br-]

InChI

InChI=1S/C33H32N2O3.BrH/c1-36-31-15-14-26(19-33(31)38-3)18-30-28-21-32(37-2)29(34-22-24-10-6-4-7-11-24)20-27(28)16-17-35(30)23-25-12-8-5-9-13-25;/h4-17,19-21H,18,22-23H2,1-3H3;1H