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

Systemtic Name: 2-[[4-[(2S)-2-phenylbutanoyl]piperazin-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[[4-[(2S)-2-phenylbutanoyl]piperazin-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[4-[(2S)-1-oxo-2-phenylbutyl]-1-piperazinyl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[[4-[(2S)-2-phenylbutanoyl]piperazin-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[4-[(2S)-2-phenylbutanoyl]piperazino]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C23H27N4O2+ MolecularWeight: 391.48608

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)N2CCN(CC2)CC3=CC(=O)[N+]4=CC=CC=C4N3

Isomeric SMILES

CC[C@@H](C1=CC=CC=C1)C(=O)N2CCN(CC2)CC3=CC(=O)[N+]4=CC=CC=C4N3

InChI

InChI=1S/C23H26N4O2/c1-2-20(18-8-4-3-5-9-18)23(29)26-14-12-25(13-15-26)17-19-16-22(28)27-11-7-6-10-21(27)24-19/h3-11,16,20H,2,12-15,17H2,1H3/p+1/t20-/m0/s1