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

Systemtic Name: 2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[methyl-[[2-(1-piperidyl)phenyl]methyl]amino]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[methyl-[[2-(1-piperidinyl)phenyl]methyl]amino]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[methyl-(2-piperidinobenzyl)amino]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C21H24N5O3+ MolecularWeight: 394.44696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1N2CCCCC2)C3=C(C(=O)[N+]4=CC=CC=C4N3)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC=CC=C1N2CCCCC2)C3=C(C(=O)[N+]4=CC=CC=C4N3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O3/c1-23(15-16-9-3-4-10-17(16)24-12-6-2-7-13-24)20-19(26(28)29)21(27)25-14-8-5-11-18(25)22-20/h3-5,8-11,14H,2,6-7,12-13,15H2,1H3/p+1