2-methoxy-6-[[4-[4-(3-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]piperidin-1-ium-1-yl]methyl]phenol

Systemtic Name: 2-methoxy-6-[[4-[4-(3-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]piperidin-1-ium-1-yl]methyl]phenol Openeye Name: 2-methoxy-6-[[4-[4-(3-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]piperidin-1-ium-1-yl]methyl]phenol CAS Name: 2-methoxy-6-[[4-[4-(3-methoxyphenyl)-5-(methylthio)-1,2,4-triazol-3-yl]-1-piperidin-1-iumyl]methyl]phenol IUPAC Name: 2-methoxy-6-[[4-[4-(3-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]piperidin-1-ium-1-yl]methyl]phenol Traditional Name: 2-methoxy-6-[[4-[4-(3-methoxyphenyl)-5-(methylthio)-1,2,4-triazol-3-yl]piperidin-1-ium-1-yl]methyl]phenol Formula: C23H29N4O3S+ MolecularWeight: 441.56636

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=NN=C2SC)C3CC[NH+](CC3)CC4=C(C(=CC=C4)OC)O

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=NN=C2SC)C3CC[NH+](CC3)CC4=C(C(=CC=C4)OC)O

InChI

InChI=1S/C23H28N4O3S/c1-29-19-8-5-7-18(14-19)27-22(24-25-23(27)31-3)16-10-12-26(13-11-16)15-17-6-4-9-20(30-2)21(17)28/h4-9,14,16,28H,10-13,15H2,1-3H3/p+1