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

Systemtic Name: 2-[[4-[4-methyl-5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]piperidin-1-ium-1-yl]methyl]phenol Openeye Name: 2-[[4-[4-methyl-5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]piperidin-1-ium-1-yl]methyl]phenol CAS Name: 2-[[4-[4-methyl-5-[2-(1-piperidin-1-iumyl)ethylthio]-1,2,4-triazol-3-yl]-1-piperidin-1-iumyl]methyl]phenol IUPAC Name: 2-[[4-[4-methyl-5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]piperidin-1-ium-1-yl]methyl]phenol Traditional Name: 2-[[4-[4-methyl-5-(2-piperidin-1-ium-1-ylethylthio)-1,2,4-triazol-3-yl]piperidin-1-ium-1-yl]methyl]phenol Formula: C22H35N5OS+2 MolecularWeight: 417.6112

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC[NH+]2CCCCC2)C3CC[NH+](CC3)CC4=CC=CC=C4O

Isomeric SMILES

CN1C(=NN=C1SCC[NH+]2CCCCC2)C3CC[NH+](CC3)CC4=CC=CC=C4O

InChI

InChI=1S/C22H33N5OS/c1-25-21(23-24-22(25)29-16-15-26-11-5-2-6-12-26)18-9-13-27(14-10-18)17-19-7-3-4-8-20(19)28/h3-4,7-8,18,28H,2,5-6,9-17H2,1H3/p+2