N-[2-(3-oxidanylidene-2H-1,3-benzothiazol-3-ium-2-yl)ethyl]-2-phenyl-ethanamide

Systemtic Name: N-[2-(3-oxidanylidene-2H-1,3-benzothiazol-3-ium-2-yl)ethyl]-2-phenyl-ethanamide Openeye Name: N-[2-(3-oxo-2H-1,3-benzothiazol-3-ium-2-yl)ethyl]-2-phenyl-acetamide CAS Name: N-[2-(3-oxo-2H-1,3-benzothiazol-3-ium-2-yl)ethyl]-2-phenylacetamide IUPAC Name: N-[2-(3-oxo-2H-1,3-benzothiazol-3-ium-2-yl)ethyl]-2-phenylacetamide Traditional Name: N-[2-(3-keto-2H-1,3-benzothiazol-3-ium-2-yl)ethyl]-2-phenyl-acetamide Formula: C17H17N2O2S+ MolecularWeight: 313.39408

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)NCCC2[N+](=O)C3=CC=CC=C3S2

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)NCCC2[N+](=O)C3=CC=CC=C3S2

InChI

InChI=1S/C17H16N2O2S/c20-16(12-13-6-2-1-3-7-13)18-11-10-17-19(21)14-8-4-5-9-15(14)22-17/h1-9,17H,10-12H2/p+1