2-[[4-(2-chlorophenyl)carbonylpiperazin-1-ium-1-yl]methyl]-9-methyl-pyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 2-[[4-(2-chlorophenyl)carbonylpiperazin-1-ium-1-yl]methyl]-9-methyl-pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-[[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]methyl]-9-methyl-pyrido[1,2-a]pyrimidin-4-one CAS Name: 2-[[4-[(2-chlorophenyl)-oxomethyl]-1-piperazin-1-iumyl]methyl]-9-methyl-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-[[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one Traditional Name: 2-[[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]methyl]-9-methyl-pyrido[1,2-a]pyrimidin-4-one Formula: C21H22ClN4O2+ MolecularWeight: 397.87798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CN2C1=NC(=CC2=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4Cl

Isomeric SMILES

CC1=CC=CN2C1=NC(=CC2=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C21H21ClN4O2/c1-15-5-4-8-26-19(27)13-16(23-20(15)26)14-24-9-11-25(12-10-24)21(28)17-6-2-3-7-18(17)22/h2-8,13H,9-12,14H2,1H3/p+1