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

Systemtic Name: 5-[(3-methylphenoxy)methyl]-2-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-5-[(3-methylphenoxy)methyl]-1,2,4-triazole-3-thione CAS Name: 2-[(4-hydroxy-1-piperidin-1-iumyl)methyl]-5-[(3-methylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione IUPAC Name: 2-[(4-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-[(4-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+]3CCC(CC3)O

Isomeric SMILES

CC1=CC(=CC=C1)OCC2=NN(C(=S)N2CC=C)C[NH+]3CCC(CC3)O

InChI

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