3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1-methyl-2-(phenylmethyl)-4-prop-2-enyl-isoquinolin-2-ium

Systemtic Name: 3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1-methyl-2-(phenylmethyl)-4-prop-2-enyl-isoquinolin-2-ium Openeye Name: 4-allyl-2-benzyl-3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1-methyl-isoquinolin-2-ium CAS Name: 3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1-methyl-2-(phenylmethyl)-4-prop-2-enylisoquinolin-2-ium IUPAC Name: 2-benzyl-3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1-methyl-4-prop-2-enylisoquinolin-2-ium Traditional Name: 4-allyl-2-benzyl-3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1-methyl-isoquinolin-2-ium Formula: C30H32NO4+ MolecularWeight: 470.57938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=C(C2=CC(=C(C=C12)OC)OC)CC=C)C3=CC(=C(C=C3)OC)OC)CC4=CC=CC=C4

Isomeric SMILES

CC1=[N+](C(=C(C2=CC(=C(C=C12)OC)OC)CC=C)C3=CC(=C(C=C3)OC)OC)CC4=CC=CC=C4

InChI

InChI=1S/C30H32NO4/c1-7-11-23-25-18-29(35-6)28(34-5)17-24(25)20(2)31(19-21-12-9-8-10-13-21)30(23)22-14-15-26(32-3)27(16-22)33-4/h7-10,12-18H,1,11,19H2,2-6H3/q+1