4-methoxy-2-[[(3S)-3-(4-methyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-ium-1-yl]methyl]phenol

Systemtic Name: 4-methoxy-2-[[(3S)-3-(4-methyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-ium-1-yl]methyl]phenol Openeye Name: 2-[[(3S)-3-(5-allylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidin-1-ium-1-yl]methyl]-4-methoxy-phenol CAS Name: 4-methoxy-2-[[(3S)-3-[4-methyl-5-(prop-2-enylthio)-1,2,4-triazol-3-yl]-1-piperidin-1-iumyl]methyl]phenol IUPAC Name: 4-methoxy-2-[[(3S)-3-(4-methyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-ium-1-yl]methyl]phenol Traditional Name: 2-[[(3S)-3-[5-(allylthio)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-ium-1-yl]methyl]-4-methoxy-phenol Formula: C19H27N4O2S+ MolecularWeight: 375.50828

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC=C)C2CCC[NH+](C2)CC3=C(C=CC(=C3)OC)O

Isomeric SMILES

CN1C(=NN=C1SCC=C)[C@H]2CCC[NH+](C2)CC3=C(C=CC(=C3)OC)O

InChI

InChI=1S/C19H26N4O2S/c1-4-10-26-19-21-20-18(22(19)2)14-6-5-9-23(12-14)13-15-11-16(25-3)7-8-17(15)24/h4,7-8,11,14,24H,1,5-6,9-10,12-13H2,2-3H3/p+1/t14-/m0/s1