1-phenyl-2-[[2-(2-piperidin-1-ium-1-ylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]ethanone

Systemtic Name: 1-phenyl-2-[[2-(2-piperidin-1-ium-1-ylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]ethanone Openeye Name: 1-phenyl-2-[[2-(2-piperidin-1-ium-1-ylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]ethanone CAS Name: 1-phenyl-2-[[2-[2-(1-piperidin-1-iumyl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]thio]ethanone IUPAC Name: 1-phenyl-2-[[2-(2-piperidin-1-ium-1-ylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]ethanone Traditional Name: 1-phenyl-2-[[2-(2-piperidin-1-ium-1-ylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]thio]ethanone Formula: C24H26N5OS+ MolecularWeight: 432.56114

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCC2=NN3C(=N2)C4=CC=CC=C4N=C3SCC(=O)C5=CC=CC=C5

Isomeric SMILES

C1CC[NH+](CC1)CCC2=NN3C(=N2)C4=CC=CC=C4N=C3SCC(=O)C5=CC=CC=C5

InChI

InChI=1S/C24H25N5OS/c30-21(18-9-3-1-4-10-18)17-31-24-25-20-12-6-5-11-19(20)23-26-22(27-29(23)24)13-16-28-14-7-2-8-15-28/h1,3-6,9-12H,2,7-8,13-17H2/p+1