2-methoxy-4-[[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-methoxy-4-[[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-methoxy-4-[[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-methoxy-4-[[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-methoxy-4-[[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-methoxy-4-[[4-[4-methyl-5-(2-piperidin-1-ium-1-ylethylthio)-1,2,4-triazol-3-yl]piperidin-1-ium-1-yl]methyl]phenol Formula: C23H37N5O2S+2 MolecularWeight: 447.63718

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC[NH+]2CCCCC2)C3CC[NH+](CC3)CC4=CC(=C(C=C4)O)OC

Isomeric SMILES

CN1C(=NN=C1SCC[NH+]2CCCCC2)C3CC[NH+](CC3)CC4=CC(=C(C=C4)O)OC

InChI

InChI=1S/C23H35N5O2S/c1-26-22(24-25-23(26)31-15-14-27-10-4-3-5-11-27)19-8-12-28(13-9-19)17-18-6-7-20(29)21(16-18)30-2/h6-7,16,19,29H,3-5,8-15,17H2,1-2H3/p+2