2-(1,3-benzothiazol-3-ium-3-yl)-N-cyclohexyl-ethanamide bromide

Systemtic Name: 2-(1,3-benzothiazol-3-ium-3-yl)-N-cyclohexyl-ethanamide bromide Openeye Name: 2-(1,3-benzothiazol-3-ium-3-yl)-N-cyclohexyl-acetamide bromide CAS Name: 2-(1,3-benzothiazol-3-ium-3-yl)-N-cyclohexylacetamide bromide IUPAC Name: 2-(1,3-benzothiazol-3-ium-3-yl)-N-cyclohexylacetamide bromide Traditional Name: 2-(1,3-benzothiazol-3-ium-3-yl)-N-cyclohexyl-acetamide bromide Formula: C15H19BrN2OS MolecularWeight: 355.29316

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C[N+]2=CSC3=CC=CC=C32.[Br-]

Isomeric SMILES

C1CCC(CC1)NC(=O)C[N+]2=CSC3=CC=CC=C32.[Br-]

InChI

InChI=1S/C15H18N2OS.BrH/c18-15(16-12-6-2-1-3-7-12)10-17-11-19-14-9-5-4-8-13(14)17;/h4-5,8-9,11-12H,1-3,6-7,10H2;1H