1H-imidazol-3-ium-5-ylmethyl 4-chloranylbenzoate chloride

Systemtic Name: 1H-imidazol-3-ium-5-ylmethyl 4-chloranylbenzoate chloride Openeye Name: 1H-imidazol-3-ium-5-ylmethyl 4-chlorobenzoate chloride CAS Name: 4-chlorobenzoic acid 1H-imidazol-3-ium-5-ylmethyl ester chloride IUPAC Name: 1H-imidazol-3-ium-5-ylmethyl 4-chlorobenzoate chloride Traditional Name: 4-chlorobenzoic acid 1H-imidazol-3-ium-5-ylmethyl ester chloride Formula: C11H10Cl2N2O2 MolecularWeight: 273.1153

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCC2=C[NH+]=CN2)Cl.[Cl-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCC2=C[NH+]=CN2)Cl.[Cl-]

InChI

InChI=1S/C11H9ClN2O2.ClH/c12-9-3-1-8(2-4-9)11(15)16-6-10-5-13-7-14-10;/h1-5,7H,6H2,(H,13,14);1H