4-[[4-[4-(3-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]piperidin-1-ium-1-yl]methyl]quinoline

Systemtic Name: 4-[[4-[4-(3-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]piperidin-1-ium-1-yl]methyl]quinoline Openeye Name: 4-[[4-[4-(3-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]piperidin-1-ium-1-yl]methyl]quinoline CAS Name: 4-[[4-[4-(3-methoxyphenyl)-5-(methylthio)-1,2,4-triazol-3-yl]-1-piperidin-1-iumyl]methyl]quinoline IUPAC Name: 4-[[4-[4-(3-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]piperidin-1-ium-1-yl]methyl]quinoline Traditional Name: 4-[[4-[4-(3-methoxyphenyl)-5-(methylthio)-1,2,4-triazol-3-yl]piperidin-1-ium-1-yl]methyl]quinoline Formula: C25H28N5OS+ MolecularWeight: 446.58772

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=NN=C2SC)C3CC[NH+](CC3)CC4=CC=NC5=CC=CC=C45

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=NN=C2SC)C3CC[NH+](CC3)CC4=CC=NC5=CC=CC=C45

InChI

InChI=1S/C25H27N5OS/c1-31-21-7-5-6-20(16-21)30-24(27-28-25(30)32-2)18-11-14-29(15-12-18)17-19-10-13-26-23-9-4-3-8-22(19)23/h3-10,13,16,18H,11-12,14-15,17H2,1-2H3/p+1