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

Systemtic Name: 4-chloranyl-N-[2-(3-oxidanylidene-2H-1,3-benzothiazol-3-ium-2-yl)ethyl]butanamide Openeye Name: 4-chloro-N-[2-(3-oxo-2H-1,3-benzothiazol-3-ium-2-yl)ethyl]butanamide CAS Name: 4-chloro-N-[2-(3-oxo-2H-1,3-benzothiazol-3-ium-2-yl)ethyl]butanamide IUPAC Name: 4-chloro-N-[2-(3-oxo-2H-1,3-benzothiazol-3-ium-2-yl)ethyl]butanamide Traditional Name: 4-chloro-N-[2-(3-keto-2H-1,3-benzothiazol-3-ium-2-yl)ethyl]butyramide Formula: C13H16ClN2O2S+ MolecularWeight: 299.79634

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)[N+](=O)C(S2)CCNC(=O)CCCCl

Isomeric SMILES

C1=CC=C2C(=C1)[N+](=O)C(S2)CCNC(=O)CCCCl

InChI

InChI=1S/C13H15ClN2O2S/c14-8-3-6-12(17)15-9-7-13-16(18)10-4-1-2-5-11(10)19-13/h1-2,4-5,13H,3,6-9H2/p+1