1-[(S)-(4-chlorophenyl)-cyano-methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[(S)-(4-chlorophenyl)-cyano-methyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[(S)-(4-chlorophenyl)-cyano-methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(S)-(4-chlorophenyl)-cyanomethyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[(S)-(4-chlorophenyl)-cyanomethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(S)-(4-chlorophenyl)-cyano-methyl]piperidin-1-ium-4-carboxylate Formula: C14H15ClN2O2 MolecularWeight: 278.7341

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)[O-])C(C#N)C2=CC=C(C=C2)Cl

Isomeric SMILES

C1C[NH+](CCC1C(=O)[O-])[C@H](C#N)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H15ClN2O2/c15-12-3-1-10(2-4-12)13(9-16)17-7-5-11(6-8-17)14(18)19/h1-4,11,13H,5-8H2,(H,18,19)/t13-/m1/s1