1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-[(1S)-1-phenylethyl]isoquinolin-2-ium

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-[(1S)-1-phenylethyl]isoquinolin-2-ium Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-[(1S)-1-phenylethyl]isoquinolin-2-ium CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-[(1S)-1-phenylethyl]isoquinolin-2-ium IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-[(1S)-1-phenylethyl]isoquinolin-2-ium Traditional Name: 6,7-dimethoxy-2-[(1S)-1-phenylethyl]-1-veratryl-isoquinolin-2-ium Formula: C28H30NO4+ MolecularWeight: 444.5421

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)[N+]2=C(C3=CC(=C(C=C3C=C2)OC)OC)CC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)[N+]2=C(C3=CC(=C(C=C3C=C2)OC)OC)CC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C28H30NO4/c1-19(21-9-7-6-8-10-21)29-14-13-22-17-27(32-4)28(33-5)18-23(22)24(29)15-20-11-12-25(30-2)26(16-20)31-3/h6-14,16-19H,15H2,1-5H3/q+1/t19-/m0/s1