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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)C[N+]2=C(SC3=C2CCCC3)N.[Br-]

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)C[N+]2=C(SC3=C2CCCC3)N.[Br-]

InChI

InChI=1S/C16H18N2O2S.BrH/c1-20-12-6-4-5-11(9-12)14(19)10-18-13-7-2-3-8-15(13)21-16(18)17;/h4-6,9,17H,2-3,7-8,10H2,1H3;1H