(5S)-2-[(4-chlorophenyl)methyl]-4,5-dihydro-1H-imidazol-3-ium-5-carboxylate

Systemtic Name: (5S)-2-[(4-chlorophenyl)methyl]-4,5-dihydro-1H-imidazol-3-ium-5-carboxylate Openeye Name: (5S)-2-[(4-chlorophenyl)methyl]-4,5-dihydro-1H-imidazol-3-ium-5-carboxylate CAS Name: (5S)-2-[(4-chlorophenyl)methyl]-4,5-dihydro-1H-imidazol-3-ium-5-carboxylate IUPAC Name: (5S)-2-[(4-chlorophenyl)methyl]-4,5-dihydro-1H-imidazol-3-ium-5-carboxylate Traditional Name: (4S)-2-(4-chlorobenzyl)-2-imidazolin-1-ium-4-carboxylate Formula: C11H11ClN2O2 MolecularWeight: 238.67024

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC(=[NH+]1)CC2=CC=C(C=C2)Cl)C(=O)[O-]

Isomeric SMILES

C1[C@H](NC(=[NH+]1)CC2=CC=C(C=C2)Cl)C(=O)[O-]

InChI

InChI=1S/C11H11ClN2O2/c12-8-3-1-7(2-4-8)5-10-13-6-9(14-10)11(15)16/h1-4,9H,5-6H2,(H,13,14)(H,15,16)/t9-/m0/s1