5-cyclopropyl-2-[[(3R)-3-oxidanylpiperidin-1-ium-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione

Systemtic Name: 5-cyclopropyl-2-[[(3R)-3-oxidanylpiperidin-1-ium-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione Openeye Name: 5-cyclopropyl-2-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione CAS Name: 5-cyclopropyl-2-[[(3R)-3-hydroxy-1-piperidin-1-iumyl]methyl]-4-phenyl-1,2,4-triazole-3-thione IUPAC Name: 5-cyclopropyl-2-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione Traditional Name: 5-cyclopropyl-2-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione Formula: C17H23N4OS+ MolecularWeight: 331.45572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CN2C(=S)N(C(=N2)C3CC3)C4=CC=CC=C4)O

Isomeric SMILES

C1C[C@H](C[NH+](C1)CN2C(=S)N(C(=N2)C3CC3)C4=CC=CC=C4)O

InChI

InChI=1S/C17H22N4OS/c22-15-7-4-10-19(11-15)12-20-17(23)21(14-5-2-1-3-6-14)16(18-20)13-8-9-13/h1-3,5-6,13,15,22H,4,7-12H2/p+1/t15-/m1/s1