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

Systemtic Name: 2-[[4-[4-(3-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]piperidin-1-ium-1-yl]methyl]phenol Openeye Name: 2-[[4-[4-(3-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]piperidin-1-ium-1-yl]methyl]phenol CAS Name: 2-[[4-[4-(3-methoxyphenyl)-5-(methylthio)-1,2,4-triazol-3-yl]-1-piperidin-1-iumyl]methyl]phenol IUPAC Name: 2-[[4-[4-(3-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]piperidin-1-ium-1-yl]methyl]phenol Traditional Name: 2-[[4-[4-(3-methoxyphenyl)-5-(methylthio)-1,2,4-triazol-3-yl]piperidin-1-ium-1-yl]methyl]phenol Formula: C22H27N4O2S+ MolecularWeight: 411.54038

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=NN=C2SC)C3CC[NH+](CC3)CC4=CC=CC=C4O

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=NN=C2SC)C3CC[NH+](CC3)CC4=CC=CC=C4O

InChI

InChI=1S/C22H26N4O2S/c1-28-19-8-5-7-18(14-19)26-21(23-24-22(26)29-2)16-10-12-25(13-11-16)15-17-6-3-4-9-20(17)27/h3-9,14,16,27H,10-13,15H2,1-2H3/p+1