6,7-dimethoxy-2-(3-nitropyridin-1-ium-2-yl)-3,4-dihydro-1H-isoquinoline

Systemtic Name: 6,7-dimethoxy-2-(3-nitropyridin-1-ium-2-yl)-3,4-dihydro-1H-isoquinoline Openeye Name: 6,7-dimethoxy-2-(3-nitropyridin-1-ium-2-yl)-3,4-dihydro-1H-isoquinoline CAS Name: 6,7-dimethoxy-2-(3-nitro-2-pyridin-1-iumyl)-3,4-dihydro-1H-isoquinoline IUPAC Name: 6,7-dimethoxy-2-(3-nitropyridin-1-ium-2-yl)-3,4-dihydro-1H-isoquinoline Traditional Name: 6,7-dimethoxy-2-(3-nitropyridin-1-ium-2-yl)-3,4-dihydro-1H-isoquinoline Formula: C16H18N3O4+ MolecularWeight: 316.33182

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C3=C(C=CC=[NH+]3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C3=C(C=CC=[NH+]3)[N+](=O)[O-])OC

InChI

InChI=1S/C16H17N3O4/c1-22-14-8-11-5-7-18(10-12(11)9-15(14)23-2)16-13(19(20)21)4-3-6-17-16/h3-4,6,8-9H,5,7,10H2,1-2H3/p+1