6,7-dimethoxy-1-[(E)-2-(4-nitrophenyl)ethenyl]-3,4-dihydroisoquinolin-2-ium chloride

Systemtic Name: 6,7-dimethoxy-1-[(E)-2-(4-nitrophenyl)ethenyl]-3,4-dihydroisoquinolin-2-ium chloride Openeye Name: 6,7-dimethoxy-1-[(E)-2-(4-nitrophenyl)vinyl]-3,4-dihydroisoquinolin-2-ium chloride CAS Name: 6,7-dimethoxy-1-[(E)-2-(4-nitrophenyl)ethenyl]-3,4-dihydroisoquinolin-2-ium chloride IUPAC Name: 6,7-dimethoxy-1-[(E)-2-(4-nitrophenyl)ethenyl]-3,4-dihydroisoquinolin-2-ium chloride Traditional Name: 6,7-dimethoxy-1-[(E)-2-(4-nitrophenyl)vinyl]-3,4-dihydroisoquinolin-2-ium chloride Formula: C19H19ClN2O4 MolecularWeight: 374.81816

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CC[NH+]=C2C=CC3=CC=C(C=C3)[N+](=O)[O-])OC.[Cl-]

Isomeric SMILES

COC1=C(C=C2C(=C1)CC[NH+]=C2/C=C/C3=CC=C(C=C3)[N+](=O)[O-])OC.[Cl-]

InChI

InChI=1S/C19H18N2O4.ClH/c1-24-18-11-14-9-10-20-17(16(14)12-19(18)25-2)8-5-13-3-6-15(7-4-13)21(22)23;/h3-8,11-12H,9-10H2,1-2H3;1H/b8-5+;