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

Systemtic Name: 6,7-dimethoxy-1-(3-methyl-4-nitro-phenyl)-3,4-dihydroisoquinolin-2-ium Openeye Name: 6,7-dimethoxy-1-(3-methyl-4-nitro-phenyl)-3,4-dihydroisoquinolin-2-ium CAS Name: 6,7-dimethoxy-1-(3-methyl-4-nitrophenyl)-3,4-dihydroisoquinolin-2-ium IUPAC Name: 6,7-dimethoxy-1-(3-methyl-4-nitrophenyl)-3,4-dihydroisoquinolin-2-ium Traditional Name: 6,7-dimethoxy-1-(3-methyl-4-nitro-phenyl)-3,4-dihydroisoquinolin-2-ium Formula: C18H19N2O4+ MolecularWeight: 327.35446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=[NH+]CCC3=CC(=C(C=C32)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C2=[NH+]CCC3=CC(=C(C=C32)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O4/c1-11-8-13(4-5-15(11)20(21)22)18-14-10-17(24-3)16(23-2)9-12(14)6-7-19-18/h4-5,8-10H,6-7H2,1-3H3/p+1