6-(1,3-dimethylimidazol-1-ium-2-yl)sulfanyl-5-oxidanylidene-N-(thiophen-2-ylmethyl)hexanamide chloride

Systemtic Name: 6-(1,3-dimethylimidazol-1-ium-2-yl)sulfanyl-5-oxidanylidene-N-(thiophen-2-ylmethyl)hexanamide chloride Openeye Name: 6-(1,3-dimethylimidazol-1-ium-2-yl)sulfanyl-5-oxo-N-(2-thienylmethyl)hexanamide chloride CAS Name: 6-[(1,3-dimethyl-2-imidazol-1-iumyl)thio]-5-oxo-N-(thiophen-2-ylmethyl)hexanamide chloride IUPAC Name: 6-(1,3-dimethylimidazol-1-ium-2-yl)sulfanyl-5-oxo-N-(thiophen-2-ylmethyl)hexanamide chloride Traditional Name: 6-[(1,3-dimethylimidazol-1-ium-2-yl)thio]-5-keto-N-(2-thenyl)hexanamide chloride Formula: C16H22ClN3O2S2 MolecularWeight: 387.94778

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C[N+](=C1SCC(=O)CCCC(=O)NCC2=CC=CS2)C.[Cl-]

Isomeric SMILES

CN1C=C[N+](=C1SCC(=O)CCCC(=O)NCC2=CC=CS2)C.[Cl-]

InChI

InChI=1S/C16H21N3O2S2.ClH/c1-18-8-9-19(2)16(18)23-12-13(20)5-3-7-15(21)17-11-14-6-4-10-22-14;/h4,6,8-10H,3,5,7,11-12H2,1-2H3;1H