2-[[(3R)-3-oxidanylpiperidin-1-ium-1-yl]methyl]-4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 2-[[(3R)-3-oxidanylpiperidin-1-ium-1-yl]methyl]-4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 2-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-4-phenethyl-5-(2-thienylmethyl)-1,2,4-triazole-3-thione CAS Name: 2-[[(3R)-3-hydroxy-1-piperidin-1-iumyl]methyl]-4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 2-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 2-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-4-phenethyl-5-(2-thenyl)-1,2,4-triazole-3-thione Formula: C21H27N4OS2+ MolecularWeight: 415.59528

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CN2C(=S)N(C(=N2)CC3=CC=CS3)CCC4=CC=CC=C4)O

Isomeric SMILES

C1C[C@H](C[NH+](C1)CN2C(=S)N(C(=N2)CC3=CC=CS3)CCC4=CC=CC=C4)O

InChI

InChI=1S/C21H26N4OS2/c26-18-8-4-11-23(15-18)16-25-21(27)24(12-10-17-6-2-1-3-7-17)20(22-25)14-19-9-5-13-28-19/h1-3,5-7,9,13,18,26H,4,8,10-12,14-16H2/p+1/t18-/m1/s1