2-[[2-(2-piperidin-1-ium-1-ylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 2-[[2-(2-piperidin-1-ium-1-ylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-[[2-(2-piperidin-1-ium-1-ylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one CAS Name: 2-[[[2-[2-(1-piperidin-1-iumyl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]thio]methyl]-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-[[2-(2-piperidin-1-ium-1-ylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one Traditional Name: 2-[[[2-(2-piperidin-1-ium-1-ylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]thio]methyl]pyrido[1,2-a]pyrimidin-4-one Formula: C25H26N7OS+ MolecularWeight: 472.58524

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCC2=NN3C(=N2)C4=CC=CC=C4N=C3SCC5=CC(=O)N6C=CC=CC6=N5

Isomeric SMILES

C1CC[NH+](CC1)CCC2=NN3C(=N2)C4=CC=CC=C4N=C3SCC5=CC(=O)N6C=CC=CC6=N5

InChI

InChI=1S/C25H25N7OS/c33-23-16-18(26-22-10-4-7-14-31(22)23)17-34-25-27-20-9-3-2-8-19(20)24-28-21(29-32(24)25)11-15-30-12-5-1-6-13-30/h2-4,7-10,14,16H,1,5-6,11-13,15,17H2/p+1