1-(3-methoxyphenyl)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)ethanone

Systemtic Name: 1-(3-methoxyphenyl)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)ethanone Openeye Name: 1-(3-methoxyphenyl)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)ethanone CAS Name: 1-(3-methoxyphenyl)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)ethanone IUPAC Name: 1-(3-methoxyphenyl)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)ethanone Traditional Name: 1-(3-methoxyphenyl)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)ethanone Formula: C16H18NO2S+ MolecularWeight: 288.38462

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)C[N+]2=CSC3=C2CCCC3

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)C[N+]2=CSC3=C2CCCC3

InChI

InChI=1S/C16H18NO2S/c1-19-13-6-4-5-12(9-13)15(18)10-17-11-20-16-8-3-2-7-14(16)17/h4-6,9,11H,2-3,7-8,10H2,1H3/q+1