N-[2-(6-methoxy-3-oxidanylidene-2H-1,3-benzothiazol-3-ium-2-yl)ethyl]-2-methyl-propanamide

Systemtic Name: N-[2-(6-methoxy-3-oxidanylidene-2H-1,3-benzothiazol-3-ium-2-yl)ethyl]-2-methyl-propanamide Openeye Name: N-[2-(6-methoxy-3-oxo-2H-1,3-benzothiazol-3-ium-2-yl)ethyl]-2-methyl-propanamide CAS Name: N-[2-(6-methoxy-3-oxo-2H-1,3-benzothiazol-3-ium-2-yl)ethyl]-2-methylpropanamide IUPAC Name: N-[2-(6-methoxy-3-oxo-2H-1,3-benzothiazol-3-ium-2-yl)ethyl]-2-methylpropanamide Traditional Name: N-[2-(3-keto-6-methoxy-2H-1,3-benzothiazol-3-ium-2-yl)ethyl]-2-methyl-propionamide Formula: C14H19N2O3S+ MolecularWeight: 295.37726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NCCC1[N+](=O)C2=C(S1)C=C(C=C2)OC

Isomeric SMILES

CC(C)C(=O)NCCC1[N+](=O)C2=C(S1)C=C(C=C2)OC

InChI

InChI=1S/C14H18N2O3S/c1-9(2)14(17)15-7-6-13-16(18)11-5-4-10(19-3)8-12(11)20-13/h4-5,8-9,13H,6-7H2,1-3H3/p+1