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

Systemtic Name: methyl (2S,4S,5R)-5-(4-chlorophenyl)-1,2-dimethyl-4-piperidin-1-ylcarbonyl-pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S,5R)-5-(4-chlorophenyl)-1,2-dimethyl-4-(piperidine-1-carbonyl)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S,5R)-5-(4-chlorophenyl)-1,2-dimethyl-4-[oxo(1-piperidinyl)methyl]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S,5R)-5-(4-chlorophenyl)-1,2-dimethyl-4-(piperidine-1-carbonyl)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S,5R)-5-(4-chlorophenyl)-1,2-dimethyl-4-(piperidine-1-carbonyl)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C20H28ClN2O3+ MolecularWeight: 379.90092

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C([NH+]1C)C2=CC=C(C=C2)Cl)C(=O)N3CCCCC3)C(=O)OC

Isomeric SMILES

C[C@]1(C[C@@H]([C@@H]([NH+]1C)C2=CC=C(C=C2)Cl)C(=O)N3CCCCC3)C(=O)OC

InChI

InChI=1S/C20H27ClN2O3/c1-20(19(25)26-3)13-16(18(24)23-11-5-4-6-12-23)17(22(20)2)14-7-9-15(21)10-8-14/h7-10,16-17H,4-6,11-13H2,1-3H3/p+1/t16-,17-,20-/m0/s1