6,7-dimethoxy-2-(4-nitrophenyl)-1-phenyl-3,4-dihydroisoquinolin-2-ium

Systemtic Name: 6,7-dimethoxy-2-(4-nitrophenyl)-1-phenyl-3,4-dihydroisoquinolin-2-ium Openeye Name: 6,7-dimethoxy-2-(4-nitrophenyl)-1-phenyl-3,4-dihydroisoquinolin-2-ium CAS Name: 6,7-dimethoxy-2-(4-nitrophenyl)-1-phenyl-3,4-dihydroisoquinolin-2-ium IUPAC Name: 6,7-dimethoxy-2-(4-nitrophenyl)-1-phenyl-3,4-dihydroisoquinolin-2-ium Traditional Name: 6,7-dimethoxy-2-(4-nitrophenyl)-1-phenyl-3,4-dihydroisoquinolin-2-ium Formula: C23H21N2O4+ MolecularWeight: 389.42384

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CC[N+](=C2C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CC[N+](=C2C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C23H21N2O4/c1-28-21-14-17-12-13-24(18-8-10-19(11-9-18)25(26)27)23(16-6-4-3-5-7-16)20(17)15-22(21)29-2/h3-11,14-15H,12-13H2,1-2H3/q+1