1-(2-chloranyl-6-methyl-3-oxidanylidene-2H-1,3-benzothiazol-3-ium-4-yl)butan-1-one

Systemtic Name: 1-(2-chloranyl-6-methyl-3-oxidanylidene-2H-1,3-benzothiazol-3-ium-4-yl)butan-1-one Openeye Name: 1-(2-chloro-6-methyl-3-oxo-2H-1,3-benzothiazol-3-ium-4-yl)butan-1-one CAS Name: 1-(2-chloro-6-methyl-3-oxo-2H-1,3-benzothiazol-3-ium-4-yl)-1-butanone IUPAC Name: 1-(2-chloro-6-methyl-3-oxo-2H-1,3-benzothiazol-3-ium-4-yl)butan-1-one Traditional Name: 1-(2-chloro-3-keto-6-methyl-2H-1,3-benzothiazol-3-ium-4-yl)butan-1-one Formula: C12H13ClNO2S+ MolecularWeight: 270.75512

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC(=CC2=C1[N+](=O)C(S2)Cl)C

Isomeric SMILES

CCCC(=O)C1=CC(=CC2=C1[N+](=O)C(S2)Cl)C

InChI

InChI=1S/C12H13ClNO2S/c1-3-4-9(15)8-5-7(2)6-10-11(8)14(16)12(13)17-10/h5-6,12H,3-4H2,1-2H3/q+1