1-(2-ethoxycarbonyl-4-phenyl-butyl)-1-(ethylcarbamoyl)pyrrolidin-1-ium-2-carboxylic acid

Systemtic Name: 1-(2-ethoxycarbonyl-4-phenyl-butyl)-1-(ethylcarbamoyl)pyrrolidin-1-ium-2-carboxylic acid Openeye Name: 1-(2-ethoxycarbonyl-4-phenyl-butyl)-1-(ethylcarbamoyl)pyrrolidin-1-ium-2-carboxylic acid CAS Name: 1-(2-ethoxycarbonyl-4-phenylbutyl)-1-(ethylcarbamoyl)-2-pyrrolidin-1-iumcarboxylic acid IUPAC Name: 1-(2-ethoxycarbonyl-4-phenylbutyl)-1-(ethylcarbamoyl)pyrrolidin-1-ium-2-carboxylic acid Traditional Name: 1-(2-carbethoxy-4-phenyl-butyl)-1-(ethylcarbamoyl)pyrrolidin-1-ium-2-carboxylic acid Formula: C21H31N2O5+ MolecularWeight: 391.48124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)[N+]1(CCCC1C(=O)O)CC(CCC2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCNC(=O)[N+]1(CCCC1C(=O)O)CC(CCC2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C21H30N2O5/c1-3-22-21(27)23(14-8-11-18(23)19(24)25)15-17(20(26)28-4-2)13-12-16-9-6-5-7-10-16/h5-7,9-10,17-18H,3-4,8,11-15H2,1-2H3,(H-,22,24,25,27)/p+1