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

Systemtic Name: 2-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[4-(2-methyl-1-oxopropyl)-1-piperazinyl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[(4-isobutyrylpiperazino)methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C17H23N4O2+ MolecularWeight: 315.39012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)CC2=CC(=O)[N+]3=CC=CC=C3N2

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)CC2=CC(=O)[N+]3=CC=CC=C3N2

InChI

InChI=1S/C17H22N4O2/c1-13(2)17(23)20-9-7-19(8-10-20)12-14-11-16(22)21-6-4-3-5-15(21)18-14/h3-6,11,13H,7-10,12H2,1-2H3/p+1