(phenylmethyl) 2-azanyl-1,3-benzothiazol-3-ium-3-carboxylate bromide

Systemtic Name: (phenylmethyl) 2-azanyl-1,3-benzothiazol-3-ium-3-carboxylate bromide Openeye Name: benzyl 2-amino-1,3-benzothiazol-3-ium-3-carboxylate bromide CAS Name: 2-amino-1,3-benzothiazol-3-ium-3-carboxylic acid (phenylmethyl) ester bromide IUPAC Name: benzyl 2-amino-1,3-benzothiazol-3-ium-3-carboxylate bromide Traditional Name: 2-amino-1,3-benzothiazol-3-ium-3-carboxylic acid benzyl ester bromide Formula: C15H13BrN2O2S MolecularWeight: 365.24492

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)[N+]2=C(SC3=CC=CC=C32)N.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)[N+]2=C(SC3=CC=CC=C32)N.[Br-]

InChI

InChI=1S/C15H12N2O2S.BrH/c16-14-17(12-8-4-5-9-13(12)20-14)15(18)19-10-11-6-2-1-3-7-11;/h1-9,16H,10H2;1H