2-[[4-(4-ethanoyl-2-nitro-phenyl)piperazin-1-ium-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[[4-(4-ethanoyl-2-nitro-phenyl)piperazin-1-ium-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[[4-(4-acetyl-2-nitro-phenyl)piperazin-1-ium-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[4-(4-acetyl-2-nitrophenyl)-1-piperazin-1-iumyl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[[4-(4-acetyl-2-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[4-(4-acetyl-2-nitro-phenyl)piperazin-1-ium-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C21H23N5O4+2 MolecularWeight: 409.43842

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC3=CC(=O)[N+]4=CC=CC=C4N3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC3=CC(=O)[N+]4=CC=CC=C4N3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O4/c1-15(27)16-5-6-18(19(12-16)26(29)30)24-10-8-23(9-11-24)14-17-13-21(28)25-7-3-2-4-20(25)22-17/h2-7,12-13H,8-11,14H2,1H3/p+2