6-methyl-2-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 6-methyl-2-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one Openeye Name: 6-methyl-2-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one CAS Name: 6-methyl-2-[[4-(4-nitrophenyl)-1-piperazin-1-iumyl]methyl]-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 6-methyl-2-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one Traditional Name: 6-methyl-2-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one Formula: C20H22N5O3+ MolecularWeight: 380.42038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=NC(=CC(=O)N12)C[NH+]3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC2=NC(=CC(=O)N12)C[NH+]3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O3/c1-15-3-2-4-19-21-16(13-20(26)24(15)19)14-22-9-11-23(12-10-22)17-5-7-18(8-6-17)25(27)28/h2-8,13H,9-12,14H2,1H3/p+1