1-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-2-methyl-8-phenylmethoxy-isoquinolin-2-ium

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-2-methyl-8-phenylmethoxy-isoquinolin-2-ium Openeye Name: 8-benzyloxy-1-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-2-methyl-isoquinolin-2-ium CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-2-methyl-8-phenylmethoxyisoquinolin-2-ium IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-2-methyl-8-phenylmethoxyisoquinolin-2-ium Traditional Name: 8-benzoxy-7-methoxy-2-methyl-1-veratryl-isoquinolin-2-ium Formula: C27H28NO4+ MolecularWeight: 430.51552

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C2=C(C=CC(=C2OCC3=CC=CC=C3)OC)C=C1)CC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

C[N+]1=C(C2=C(C=CC(=C2OCC3=CC=CC=C3)OC)C=C1)CC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C27H28NO4/c1-28-15-14-21-11-13-24(30-3)27(32-18-19-8-6-5-7-9-19)26(21)22(28)16-20-10-12-23(29-2)25(17-20)31-4/h5-15,17H,16,18H2,1-4H3/q+1