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

Systemtic Name: 1-(3-methoxyphenyl)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)ethanone bromide Openeye Name: 1-(3-methoxyphenyl)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)ethanone bromide CAS Name: 1-(3-methoxyphenyl)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)ethanone bromide IUPAC Name: 1-(3-methoxyphenyl)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)ethanone bromide Traditional Name: 1-(3-methoxyphenyl)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)ethanone bromide Formula: C16H18BrNO2S MolecularWeight: 368.28862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18NO2S.BrH/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;1H/q+1;/p-1