(3R)-1-[(3-chlorophenyl)methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: (3R)-1-[(3-chlorophenyl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: (3R)-1-[(3-chlorophenyl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[(3-chlorophenyl)methyl]-3-piperidin-1-iumcarboxylate IUPAC Name: (3R)-1-[(3-chlorophenyl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-(3-chlorobenzyl)piperidin-1-ium-3-carboxylate Formula: C13H16ClNO2 MolecularWeight: 253.72464

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC(=CC=C2)Cl)C(=O)[O-]

Isomeric SMILES

C1C[C@H](C[NH+](C1)CC2=CC(=CC=C2)Cl)C(=O)[O-]

InChI

InChI=1S/C13H16ClNO2/c14-12-5-1-3-10(7-12)8-15-6-2-4-11(9-15)13(16)17/h1,3,5,7,11H,2,4,6,8-9H2,(H,16,17)/t11-/m1/s1