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

Systemtic Name: 2-[[4-[(2-sulfanylidene-1H-pyridin-3-yl)carbonyl]piperazin-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[[4-(2-thioxo-1H-pyridine-3-carbonyl)piperazin-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[4-[oxo-(2-sulfanylidene-1H-pyridin-3-yl)methyl]-1-piperazinyl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[[4-(2-sulfanylidene-1H-pyridine-3-carbonyl)piperazin-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[4-(2-thioxo-1H-pyridine-3-carbonyl)piperazino]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C19H20N5O2S+ MolecularWeight: 382.4594

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=O)[N+]3=CC=CC=C3N2)C(=O)C4=CC=CNC4=S

Isomeric SMILES

C1CN(CCN1CC2=CC(=O)[N+]3=CC=CC=C3N2)C(=O)C4=CC=CNC4=S

InChI

InChI=1S/C19H19N5O2S/c25-17-12-14(21-16-5-1-2-7-24(16)17)13-22-8-10-23(11-9-22)19(26)15-4-3-6-20-18(15)27/h1-7,12H,8-11,13H2,(H,20,26,27)/p+1