methyl (2S,4S)-1-[(4-chlorophenyl)methyl]-4-(propanoylamino)pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4S)-1-[(4-chlorophenyl)methyl]-4-(propanoylamino)pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S)-1-[(4-chlorophenyl)methyl]-4-(propanoylamino)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S)-1-[(4-chlorophenyl)methyl]-4-(1-oxopropylamino)-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-1-[(4-chlorophenyl)methyl]-4-(propanoylamino)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S)-1-(4-chlorobenzyl)-4-propionamido-pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C16H22ClN2O3+ MolecularWeight: 325.81048

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1CC([NH+](C1)CC2=CC=C(C=C2)Cl)C(=O)OC

Isomeric SMILES

CCC(=O)N[C@H]1C[C@H]([NH+](C1)CC2=CC=C(C=C2)Cl)C(=O)OC

InChI

InChI=1S/C16H21ClN2O3/c1-3-15(20)18-13-8-14(16(21)22-2)19(10-13)9-11-4-6-12(17)7-5-11/h4-7,13-14H,3,8-10H2,1-2H3,(H,18,20)/p+1/t13-,14-/m0/s1