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

Systemtic Name: 2-(2-azanyl-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)-1-(2-methoxyphenyl)ethanone bromide Openeye Name: 2-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)-1-(2-methoxyphenyl)ethanone bromide CAS Name: 2-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)-1-(2-methoxyphenyl)ethanone bromide IUPAC Name: 2-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)-1-(2-methoxyphenyl)ethanone bromide Traditional Name: 2-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)-1-(2-methoxyphenyl)ethanone bromide Formula: C16H19BrN2O2S MolecularWeight: 383.30326

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)C[N+]2=C(SC3=C2CCCC3)N.[Br-]

Isomeric SMILES

COC1=CC=CC=C1C(=O)C[N+]2=C(SC3=C2CCCC3)N.[Br-]

InChI

InChI=1S/C16H18N2O2S.BrH/c1-20-14-8-4-2-6-11(14)13(19)10-18-12-7-3-5-9-15(12)21-16(18)17;/h2,4,6,8,17H,3,5,7,9-10H2,1H3;1H