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

Systemtic Name: 2-[[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-4-ethyl-1,2,4-triazole-3-thione Openeye Name: 2-[[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-4-ethyl-1,2,4-triazole-3-thione CAS Name: 2-[[(2R)-2-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]methyl]-4-ethyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-4-ethyl-1,2,4-triazole-3-thione Traditional Name: 2-[[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-4-ethyl-1,2,4-triazole-3-thione Formula: C17H22N5S2+ MolecularWeight: 360.52008

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NN(C1=S)C[NH+]2CCCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCN1C=NN(C1=S)C[NH+]2CCCC[C@@H]2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C17H21N5S2/c1-2-20-11-18-22(17(20)23)12-21-10-6-5-8-14(21)16-19-13-7-3-4-9-15(13)24-16/h3-4,7,9,11,14H,2,5-6,8,10,12H2,1H3/p+1/t14-/m1/s1