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

Systemtic Name: 2-ethoxy-4-[[(3S)-3-(4-methyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-ium-1-yl]methyl]phenol Openeye Name: 4-[[(3S)-3-(5-allylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidin-1-ium-1-yl]methyl]-2-ethoxy-phenol CAS Name: 2-ethoxy-4-[[(3S)-3-[4-methyl-5-(prop-2-enylthio)-1,2,4-triazol-3-yl]-1-piperidin-1-iumyl]methyl]phenol IUPAC Name: 2-ethoxy-4-[[(3S)-3-(4-methyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-ium-1-yl]methyl]phenol Traditional Name: 4-[[(3S)-3-[5-(allylthio)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-ium-1-yl]methyl]-2-ethoxy-phenol Formula: C20H29N4O2S+ MolecularWeight: 389.53486

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+]2CCCC(C2)C3=NN=C(N3C)SCC=C)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2CCC[C@@H](C2)C3=NN=C(N3C)SCC=C)O

InChI

InChI=1S/C20H28N4O2S/c1-4-11-27-20-22-21-19(23(20)3)16-7-6-10-24(14-16)13-15-8-9-17(25)18(12-15)26-5-2/h4,8-9,12,16,25H,1,5-7,10-11,13-14H2,2-3H3/p+1/t16-/m0/s1