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

Systemtic Name: 7-methyl-2-[[4-(phenylcarbonyl)piperazin-1-ium-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-[(4-benzoylpiperazin-1-ium-1-yl)methyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one CAS Name: 2-[(4-benzoyl-1-piperazin-1-iumyl)methyl]-7-methyl-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-[(4-benzoylpiperazin-1-ium-1-yl)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one Traditional Name: 2-[(4-benzoylpiperazin-1-ium-1-yl)methyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one Formula: C21H23N4O2+ MolecularWeight: 363.43292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=CC2=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4)C=C1

InChI

InChI=1S/C21H22N4O2/c1-16-7-8-19-22-18(13-20(26)25(19)14-16)15-23-9-11-24(12-10-23)21(27)17-5-3-2-4-6-17/h2-8,13-14H,9-12,15H2,1H3/p+1