2-[(2,4-dimethylphenyl)methyl-methyl-amino]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[(2,4-dimethylphenyl)methyl-methyl-amino]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[(2,4-dimethylphenyl)methyl-methyl-amino]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[(2,4-dimethylphenyl)methyl-methylamino]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[(2,4-dimethylphenyl)methyl-methylamino]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[(2,4-dimethylbenzyl)-methyl-amino]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C18H19N4O3+ MolecularWeight: 339.36846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CN(C)C2=C(C(=O)[N+]3=CC=CC=C3N2)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)CN(C)C2=C(C(=O)[N+]3=CC=CC=C3N2)[N+](=O)[O-])C

InChI

InChI=1S/C18H18N4O3/c1-12-7-8-14(13(2)10-12)11-20(3)17-16(22(24)25)18(23)21-9-5-4-6-15(21)19-17/h4-10H,11H2,1-3H3/p+1