2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione

Systemtic Name: 2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione Openeye Name: 2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione CAS Name: 2-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-4-phenyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione Traditional Name: 2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione Formula: C15H21N4S+ MolecularWeight: 289.41904

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CN2C(=S)N(C=N2)C3=CC=CC=C3

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CN2C(=S)N(C=N2)C3=CC=CC=C3

InChI

InChI=1S/C15H20N4S/c1-13-6-5-9-17(10-13)12-19-15(20)18(11-16-19)14-7-3-2-4-8-14/h2-4,7-8,11,13H,5-6,9-10,12H2,1H3/p+1/t13-/m0/s1