[(3S)-pyrrolidin-1-ium-3-yl] benzoate chloride

Systemtic Name: [(3S)-pyrrolidin-1-ium-3-yl] benzoate chloride Openeye Name: [(3S)-pyrrolidin-1-ium-3-yl] benzoate chloride CAS Name: benzoic acid [(3S)-3-pyrrolidin-1-iumyl] ester chloride IUPAC Name: [(3S)-pyrrolidin-1-ium-3-yl] benzoate chloride Traditional Name: benzoic acid [(3S)-pyrrolidin-1-ium-3-yl] ester chloride Formula: C11H14ClNO2 MolecularWeight: 227.68736

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CC1OC(=O)C2=CC=CC=C2.[Cl-]

Isomeric SMILES

C1C[NH2+]C[C@H]1OC(=O)C2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C11H13NO2.ClH/c13-11(9-4-2-1-3-5-9)14-10-6-7-12-8-10;/h1-5,10,12H,6-8H2;1H/t10-;/m0./s1