2-[[4-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)carbonylpiperazin-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[[4-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)carbonylpiperazin-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[[4-[1-phenyl-3-(2-thienyl)pyrazole-4-carbonyl]piperazin-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[4-[oxo-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methyl]-1-piperazinyl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[[4-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperazin-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[4-[1-phenyl-3-(2-thienyl)pyrazole-4-carbonyl]piperazino]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C27H25N6O2S+ MolecularWeight: 497.5914

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=O)[N+]3=CC=CC=C3N2)C(=O)C4=CN(N=C4C5=CC=CS5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1CC2=CC(=O)[N+]3=CC=CC=C3N2)C(=O)C4=CN(N=C4C5=CC=CS5)C6=CC=CC=C6

InChI

InChI=1S/C27H24N6O2S/c34-25-17-20(28-24-10-4-5-11-32(24)25)18-30-12-14-31(15-13-30)27(35)22-19-33(21-7-2-1-3-8-21)29-26(22)23-9-6-16-36-23/h1-11,16-17,19H,12-15,18H2/p+1