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

Systemtic Name: 2-[[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-4-methyl-5-phenyl-1,2,4-triazole-3-thione Openeye Name: 2-[[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-4-methyl-5-phenyl-1,2,4-triazole-3-thione CAS Name: 2-[[(2R)-2-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]methyl]-4-methyl-5-phenyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-4-methyl-5-phenyl-1,2,4-triazole-3-thione Traditional Name: 2-[[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-4-methyl-5-phenyl-1,2,4-triazole-3-thione Formula: C22H24N5S2+ MolecularWeight: 422.58946

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CCCCC2C3=NC4=CC=CC=C4S3)C5=CC=CC=C5

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCCC[C@@H]2C3=NC4=CC=CC=C4S3)C5=CC=CC=C5

InChI

InChI=1S/C22H23N5S2/c1-25-20(16-9-3-2-4-10-16)24-27(22(25)28)15-26-14-8-7-12-18(26)21-23-17-11-5-6-13-19(17)29-21/h2-6,9-11,13,18H,7-8,12,14-15H2,1H3/p+1/t18-/m1/s1