2-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-phenyl-1H-1,2,4-triazole-3-thione

Systemtic Name: 2-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-phenyl-1H-1,2,4-triazole-3-thione Openeye Name: 2-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-phenyl-1H-1,2,4-triazole-3-thione CAS Name: 2-[[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]methyl]-5-phenyl-1H-1,2,4-triazole-3-thione IUPAC Name: 2-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-phenyl-1H-1,2,4-triazole-3-thione Traditional Name: 2-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-phenyl-1H-1,2,4-triazole-3-thione Formula: C21H22N5S2+ MolecularWeight: 408.56288

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CN2C(=S)N=C(N2)C3=CC=CC=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@H](C[NH+](C1)CN2C(=S)N=C(N2)C3=CC=CC=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H21N5S2/c27-21-23-19(15-7-2-1-3-8-15)24-26(21)14-25-12-6-9-16(13-25)20-22-17-10-4-5-11-18(17)28-20/h1-5,7-8,10-11,16H,6,9,12-14H2,(H,23,24,27)/p+1/t16-/m1/s1