methyl (2S,4S,5R)-5-(4-chlorophenyl)-1,2-dimethyl-4-morpholin-4-ylcarbonyl-pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4S,5R)-5-(4-chlorophenyl)-1,2-dimethyl-4-morpholin-4-ylcarbonyl-pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S,5R)-5-(4-chlorophenyl)-1,2-dimethyl-4-(morpholine-4-carbonyl)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S,5R)-5-(4-chlorophenyl)-1,2-dimethyl-4-[4-morpholinyl(oxo)methyl]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S,5R)-5-(4-chlorophenyl)-1,2-dimethyl-4-(morpholine-4-carbonyl)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S,5R)-5-(4-chlorophenyl)-1,2-dimethyl-4-(morpholine-4-carbonyl)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C19H26ClN2O4+ MolecularWeight: 381.87374

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C([NH+]1C)C2=CC=C(C=C2)Cl)C(=O)N3CCOCC3)C(=O)OC

Isomeric SMILES

C[C@]1(C[C@@H]([C@@H]([NH+]1C)C2=CC=C(C=C2)Cl)C(=O)N3CCOCC3)C(=O)OC

InChI

InChI=1S/C19H25ClN2O4/c1-19(18(24)25-3)12-15(17(23)22-8-10-26-11-9-22)16(21(19)2)13-4-6-14(20)7-5-13/h4-7,15-16H,8-12H2,1-3H3/p+1/t15-,16-,19-/m0/s1