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

Systemtic Name: 2-[[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-ium-1-yl]methyl]-6-methyl-pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-[[4-(4-chloro-2-nitro-phenyl)piperazin-1-ium-1-yl]methyl]-6-methyl-pyrido[1,2-a]pyrimidin-4-one CAS Name: 2-[[4-(4-chloro-2-nitrophenyl)-1-piperazin-1-iumyl]methyl]-6-methyl-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-[[4-(4-chloro-2-nitrophenyl)piperazin-1-ium-1-yl]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one Traditional Name: 2-[[4-(4-chloro-2-nitro-phenyl)piperazin-1-ium-1-yl]methyl]-6-methyl-pyrido[1,2-a]pyrimidin-4-one Formula: C20H21ClN5O3+ MolecularWeight: 414.86544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN5O3/c1-14-3-2-4-19-22-16(12-20(27)25(14)19)13-23-7-9-24(10-8-23)17-6-5-15(21)11-18(17)26(28)29/h2-6,11-12H,7-10,13H2,1H3/p+1