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

Systemtic Name: 6,7-dimethoxy-1-(3-nitrophenyl)-3,4-dihydroisoquinolin-2-ium Openeye Name: 6,7-dimethoxy-1-(3-nitrophenyl)-3,4-dihydroisoquinolin-2-ium CAS Name: 6,7-dimethoxy-1-(3-nitrophenyl)-3,4-dihydroisoquinolin-2-ium IUPAC Name: 6,7-dimethoxy-1-(3-nitrophenyl)-3,4-dihydroisoquinolin-2-ium Traditional Name: 6,7-dimethoxy-1-(3-nitrophenyl)-3,4-dihydroisoquinolin-2-ium Formula: C17H17N2O4+ MolecularWeight: 313.32788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O4/c1-22-15-9-11-6-7-18-17(14(11)10-16(15)23-2)12-4-3-5-13(8-12)19(20)21/h3-5,8-10H,6-7H2,1-2H3/p+1