5-[(3-methylphenoxy)methyl]-2-[[(3R)-3-oxidanylpiperidin-1-ium-1-yl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione

Systemtic Name: 5-[(3-methylphenoxy)methyl]-2-[[(3R)-3-oxidanylpiperidin-1-ium-1-yl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-2-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-5-[(3-methylphenoxy)methyl]-1,2,4-triazole-3-thione CAS Name: 2-[[(3R)-3-hydroxy-1-piperidin-1-iumyl]methyl]-5-[(3-methylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-5-[(3-methylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-2-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-5-[(3-methylphenoxy)methyl]-1,2,4-triazole-3-thione Formula: C19H27N4O2S+ MolecularWeight: 375.50828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC2=NN(C(=S)N2CC=C)C[NH+]3CCCC(C3)O

Isomeric SMILES

CC1=CC(=CC=C1)OCC2=NN(C(=S)N2CC=C)C[NH+]3CCC[C@H](C3)O

InChI

InChI=1S/C19H26N4O2S/c1-3-9-22-18(13-25-17-8-4-6-15(2)11-17)20-23(19(22)26)14-21-10-5-7-16(24)12-21/h3-4,6,8,11,16,24H,1,5,7,9-10,12-14H2,2H3/p+1/t16-/m1/s1