3-[4-[(4-methylphenyl)methyl]-3-oxidanylidene-piperazin-1-yl]carbonyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 3-[4-[(4-methylphenyl)methyl]-3-oxidanylidene-piperazin-1-yl]carbonyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 3-[3-oxo-4-(p-tolylmethyl)piperazine-1-carbonyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 3-[[4-[(4-methylphenyl)methyl]-3-oxo-1-piperazinyl]-oxomethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 3-[4-[(4-methylphenyl)methyl]-3-oxopiperazine-1-carbonyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 3-[3-keto-4-(4-methylbenzyl)piperazine-1-carbonyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C21H21N4O3+ MolecularWeight: 377.41644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCN(CC2=O)C(=O)C3=CNC4=CC=CC=[N+]4C3=O

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCN(CC2=O)C(=O)C3=CNC4=CC=CC=[N+]4C3=O

InChI

InChI=1S/C21H20N4O3/c1-15-5-7-16(8-6-15)13-23-10-11-24(14-19(23)26)20(27)17-12-22-18-4-2-3-9-25(18)21(17)28/h2-9,12H,10-11,13-14H2,1H3/p+1