2-[[(2R,6R)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]-4,5-diphenyl-1,2,4-triazole-3-thione

Systemtic Name: 2-[[(2R,6R)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]-4,5-diphenyl-1,2,4-triazole-3-thione Openeye Name: 2-[[(2R,6R)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]-4,5-diphenyl-1,2,4-triazole-3-thione CAS Name: 2-[[(2R,6R)-2,6-dimethyl-1-piperidin-1-iumyl]methyl]-4,5-diphenyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[(2R,6R)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]-4,5-diphenyl-1,2,4-triazole-3-thione Traditional Name: 2-[[(2R,6R)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]-4,5-diphenyl-1,2,4-triazole-3-thione Formula: C22H27N4S+ MolecularWeight: 379.54158

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC([NH+]1CN2C(=S)N(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

C[C@@H]1CCC[C@H]([NH+]1CN2C(=S)N(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C22H26N4S/c1-17-10-9-11-18(2)24(17)16-25-22(27)26(20-14-7-4-8-15-20)21(23-25)19-12-5-3-6-13-19/h3-8,12-15,17-18H,9-11,16H2,1-2H3/p+1/t17-,18-/m1/s1