2-(1,3-benzothiazol-3-ium-3-yl)-1-(3,4-dimethoxyphenyl)ethanone

Systemtic Name: 2-(1,3-benzothiazol-3-ium-3-yl)-1-(3,4-dimethoxyphenyl)ethanone Openeye Name: 2-(1,3-benzothiazol-3-ium-3-yl)-1-(3,4-dimethoxyphenyl)ethanone CAS Name: 2-(1,3-benzothiazol-3-ium-3-yl)-1-(3,4-dimethoxyphenyl)ethanone IUPAC Name: 2-(1,3-benzothiazol-3-ium-3-yl)-1-(3,4-dimethoxyphenyl)ethanone Traditional Name: 2-(1,3-benzothiazol-3-ium-3-yl)-1-(3,4-dimethoxyphenyl)ethanone Formula: C17H16NO3S+ MolecularWeight: 314.37884

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C[N+]2=CSC3=CC=CC=C32)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)C[N+]2=CSC3=CC=CC=C32)OC

InChI

InChI=1S/C17H16NO3S/c1-20-15-8-7-12(9-16(15)21-2)14(19)10-18-11-22-17-6-4-3-5-13(17)18/h3-9,11H,10H2,1-2H3/q+1