2-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-3,4-dihydroisoquinolin-2-ium

Systemtic Name: 2-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-3,4-dihydroisoquinolin-2-ium Openeye Name: 2-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-3,4-dihydroisoquinolin-2-ium CAS Name: 2-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-3,4-dihydroisoquinolin-2-ium IUPAC Name: 2-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-3,4-dihydroisoquinolin-2-ium Traditional Name: 2-(3,4-diethoxybenzyl)-6,7-diethoxy-3,4-dihydroisoquinolin-2-ium Formula: C24H32NO4+ MolecularWeight: 398.51518

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C[N+]2=CC3=CC(=C(C=C3CC2)OCC)OCC)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C[N+]2=CC3=CC(=C(C=C3CC2)OCC)OCC)OCC

InChI

InChI=1S/C24H32NO4/c1-5-26-21-10-9-18(13-22(21)27-6-2)16-25-12-11-19-14-23(28-7-3)24(29-8-4)15-20(19)17-25/h9-10,13-15,17H,5-8,11-12,16H2,1-4H3/q+1