1-[(4-chlorophenyl)methylcarbamoyl]-1-pyrrolidin-2-ylcarbonyl-pyrrolidin-1-ium-2-carboxylic acid

Systemtic Name: 1-[(4-chlorophenyl)methylcarbamoyl]-1-pyrrolidin-2-ylcarbonyl-pyrrolidin-1-ium-2-carboxylic acid Openeye Name: 1-[(4-chlorophenyl)methylcarbamoyl]-1-(pyrrolidine-2-carbonyl)pyrrolidin-1-ium-2-carboxylic acid CAS Name: 1-[[(4-chlorophenyl)methylamino]-oxomethyl]-1-[oxo(2-pyrrolidinyl)methyl]-2-pyrrolidin-1-iumcarboxylic acid IUPAC Name: 1-[(4-chlorophenyl)methylcarbamoyl]-1-(pyrrolidine-2-carbonyl)pyrrolidin-1-ium-2-carboxylic acid Traditional Name: 1-[(4-chlorobenzyl)carbamoyl]-1-prolyl-pyrrolidin-1-ium-2-carboxylic acid Formula: C18H23ClN3O4+ MolecularWeight: 380.84592

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)[N+]2(CCCC2C(=O)O)C(=O)NCC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CC(NC1)C(=O)[N+]2(CCCC2C(=O)O)C(=O)NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H22ClN3O4/c19-13-7-5-12(6-8-13)11-21-18(26)22(10-2-4-15(22)17(24)25)16(23)14-3-1-9-20-14/h5-8,14-15,20H,1-4,9-11H2,(H-,21,24,25,26)/p+1