(phenylmethyl) 2-(2-azanyl-1,3-benzothiazol-3-ium-3-yl)ethanoate chloride

Systemtic Name: (phenylmethyl) 2-(2-azanyl-1,3-benzothiazol-3-ium-3-yl)ethanoate chloride Openeye Name: benzyl 2-(2-amino-1,3-benzothiazol-3-ium-3-yl)acetate chloride CAS Name: 2-(2-amino-1,3-benzothiazol-3-ium-3-yl)acetic acid (phenylmethyl) ester chloride IUPAC Name: benzyl 2-(2-amino-1,3-benzothiazol-3-ium-3-yl)acetate chloride Traditional Name: 2-(2-amino-1,3-benzothiazol-3-ium-3-yl)acetic acid benzyl ester chloride Formula: C16H15ClN2O2S MolecularWeight: 334.8205

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O2S.ClH/c17-16-18(13-8-4-5-9-14(13)21-16)10-15(19)20-11-12-6-2-1-3-7-12;/h1-9,17H,10-11H2;1H