7-methyl-2-[[(2S)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl]sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 7-methyl-2-[[(2S)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl]sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 7-methyl-2-[[(1S)-1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 7-methyl-2-[[[(2S)-1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl]thio]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 7-methyl-2-[[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[[(1S)-2-keto-1-methyl-2-(4-phenylpiperazino)ethyl]thio]methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C23H27N4O2S+ MolecularWeight: 423.55108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CSC(C)C(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CS[C@@H](C)C(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H26N4O2S/c1-17-8-9-21-24-19(14-22(28)27(21)15-17)16-30-18(2)23(29)26-12-10-25(11-13-26)20-6-4-3-5-7-20/h3-9,14-15,18H,10-13,16H2,1-2H3/p+1/t18-/m0/s1