4-methyl-N-[2-(3-oxidanylidene-2H-1,3-benzothiazol-3-ium-2-yl)ethyl]benzamide

Systemtic Name: 4-methyl-N-[2-(3-oxidanylidene-2H-1,3-benzothiazol-3-ium-2-yl)ethyl]benzamide Openeye Name: 4-methyl-N-[2-(3-oxo-2H-1,3-benzothiazol-3-ium-2-yl)ethyl]benzamide CAS Name: 4-methyl-N-[2-(3-oxo-2H-1,3-benzothiazol-3-ium-2-yl)ethyl]benzamide IUPAC Name: 4-methyl-N-[2-(3-oxo-2H-1,3-benzothiazol-3-ium-2-yl)ethyl]benzamide Traditional Name: N-[2-(3-keto-2H-1,3-benzothiazol-3-ium-2-yl)ethyl]-4-methyl-benzamide Formula: C17H17N2O2S+ MolecularWeight: 313.39408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NCCC2[N+](=O)C3=CC=CC=C3S2

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NCCC2[N+](=O)C3=CC=CC=C3S2

InChI

InChI=1S/C17H16N2O2S/c1-12-6-8-13(9-7-12)17(20)18-11-10-16-19(21)14-4-2-3-5-15(14)22-16/h2-9,16H,10-11H2,1H3/p+1