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

Systemtic Name: N-[2-(3-oxidanylidene-2H-1,3-benzothiazol-3-ium-2-yl)ethyl]pentanamide Openeye Name: N-[2-(3-oxo-2H-1,3-benzothiazol-3-ium-2-yl)ethyl]pentanamide CAS Name: N-[2-(3-oxo-2H-1,3-benzothiazol-3-ium-2-yl)ethyl]pentanamide IUPAC Name: N-[2-(3-oxo-2H-1,3-benzothiazol-3-ium-2-yl)ethyl]pentanamide Traditional Name: N-[2-(3-keto-2H-1,3-benzothiazol-3-ium-2-yl)ethyl]valeramide Formula: C14H19N2O2S+ MolecularWeight: 279.37786

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NCCC1[N+](=O)C2=CC=CC=C2S1

Isomeric SMILES

CCCCC(=O)NCCC1[N+](=O)C2=CC=CC=C2S1

InChI

InChI=1S/C14H18N2O2S/c1-2-3-8-13(17)15-10-9-14-16(18)11-6-4-5-7-12(11)19-14/h4-7,14H,2-3,8-10H2,1H3/p+1