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

Systemtic Name: 2-[[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-cyclopropyl-4-methyl-1,2,4-triazole-3-thione Openeye Name: 2-[[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-cyclopropyl-4-methyl-1,2,4-triazole-3-thione CAS Name: 2-[[(2R)-2-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]methyl]-5-cyclopropyl-4-methyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-cyclopropyl-4-methyl-1,2,4-triazole-3-thione Traditional Name: 2-[[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-cyclopropyl-4-methyl-1,2,4-triazole-3-thione Formula: C19H24N5S2+ MolecularWeight: 386.55736

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CCCCC2C3=NC4=CC=CC=C4S3)C5CC5

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCCC[C@@H]2C3=NC4=CC=CC=C4S3)C5CC5

InChI

InChI=1S/C19H23N5S2/c1-22-17(13-9-10-13)21-24(19(22)25)12-23-11-5-4-7-15(23)18-20-14-6-2-3-8-16(14)26-18/h2-3,6,8,13,15H,4-5,7,9-12H2,1H3/p+1/t15-/m1/s1