N-[2-(6-methoxy-3-oxidanylidene-2H-1,3-benzothiazol-3-ium-2-yl)ethyl]-4-methyl-benzamide

Systemtic Name: N-[2-(6-methoxy-3-oxidanylidene-2H-1,3-benzothiazol-3-ium-2-yl)ethyl]-4-methyl-benzamide Openeye Name: N-[2-(6-methoxy-3-oxo-2H-1,3-benzothiazol-3-ium-2-yl)ethyl]-4-methyl-benzamide CAS Name: N-[2-(6-methoxy-3-oxo-2H-1,3-benzothiazol-3-ium-2-yl)ethyl]-4-methylbenzamide IUPAC Name: N-[2-(6-methoxy-3-oxo-2H-1,3-benzothiazol-3-ium-2-yl)ethyl]-4-methylbenzamide Traditional Name: N-[2-(3-keto-6-methoxy-2H-1,3-benzothiazol-3-ium-2-yl)ethyl]-4-methyl-benzamide Formula: C18H19N2O3S+ MolecularWeight: 343.42006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NCCC2[N+](=O)C3=C(S2)C=C(C=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NCCC2[N+](=O)C3=C(S2)C=C(C=C3)OC

InChI

InChI=1S/C18H18N2O3S/c1-12-3-5-13(6-4-12)18(21)19-10-9-17-20(22)15-8-7-14(23-2)11-16(15)24-17/h3-8,11,17H,9-10H2,1-2H3/p+1