methyl (2S,4S,5R)-5-(2-chlorophenyl)-4-cyano-1-methyl-pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4S,5R)-5-(2-chlorophenyl)-4-cyano-1-methyl-pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S,5R)-5-(2-chlorophenyl)-4-cyano-1-methyl-pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S,5R)-5-(2-chlorophenyl)-4-cyano-1-methyl-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S,5R)-5-(2-chlorophenyl)-4-cyano-1-methylpyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S,5R)-5-(2-chlorophenyl)-4-cyano-1-methyl-pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C14H16ClN2O2+ MolecularWeight: 279.74204

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1C(CC(C1C2=CC=CC=C2Cl)C#N)C(=O)OC

Isomeric SMILES

C[NH+]1[C@@H](C[C@@H]([C@@H]1C2=CC=CC=C2Cl)C#N)C(=O)OC

InChI

InChI=1S/C14H15ClN2O2/c1-17-12(14(18)19-2)7-9(8-16)13(17)10-5-3-4-6-11(10)15/h3-6,9,12-13H,7H2,1-2H3/p+1/t9-,12+,13-/m1/s1