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

Systemtic Name: 1-[[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-3-methyl-imidazole-2-thione Openeye Name: 1-[[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-3-methyl-imidazole-2-thione CAS Name: 1-[[(2R)-2-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]methyl]-3-methyl-2-imidazolethione IUPAC Name: 1-[[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-3-methylimidazole-2-thione Traditional Name: 1-[[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-3-methyl-4-imidazoline-2-thione Formula: C17H21N4S2+ MolecularWeight: 345.50544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4S2/c1-19-10-11-21(17(19)22)12-20-9-5-4-7-14(20)16-18-13-6-2-3-8-15(13)23-16/h2-3,6,8,10-11,14H,4-5,7,9,12H2,1H3/p+1/t14-/m1/s1