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

Systemtic Name: ethyl 2-(2-azanyl-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)ethanoate bromide Openeye Name: ethyl 2-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)acetate bromide CAS Name: 2-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)acetic acid ethyl ester bromide IUPAC Name: ethyl 2-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)acetate bromide Traditional Name: 2-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)acetic acid ethyl ester bromide Formula: C11H17BrN2O2S MolecularWeight: 321.23388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1=C(SC2=C1CCCC2)N.[Br-]

Isomeric SMILES

CCOC(=O)C[N+]1=C(SC2=C1CCCC2)N.[Br-]

InChI

InChI=1S/C11H16N2O2S.BrH/c1-2-15-10(14)7-13-8-5-3-4-6-9(8)16-11(13)12;/h12H,2-7H2,1H3;1H