2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C19H19N4O5+ MolecularWeight: 383.37796

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C3=C(C(=O)[N+]4=CC=CC=C4N3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C3=C(C(=O)[N+]4=CC=CC=C4N3)[N+](=O)[O-])OC

InChI

InChI=1S/C19H18N4O5/c1-27-14-9-12-6-8-21(11-13(12)10-15(14)28-2)18-17(23(25)26)19(24)22-7-4-3-5-16(22)20-18/h3-5,7,9-10H,6,8,11H2,1-2H3/p+1