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

Systemtic Name: 1-(2-carboxy-4-phenyl-butyl)-1-(ethylcarbamoyl)pyrrolidin-1-ium-2-carboxylic acid Openeye Name: 1-(2-carboxy-4-phenyl-butyl)-1-(ethylcarbamoyl)pyrrolidin-1-ium-2-carboxylic acid CAS Name: 1-(2-carboxy-4-phenylbutyl)-1-(ethylcarbamoyl)-2-pyrrolidin-1-iumcarboxylic acid IUPAC Name: 1-(2-carboxy-4-phenylbutyl)-1-(ethylcarbamoyl)pyrrolidin-1-ium-2-carboxylic acid Traditional Name: 1-(2-carboxy-4-phenyl-butyl)-1-(ethylcarbamoyl)pyrrolidin-1-ium-2-carboxylic acid Formula: C19H27N2O5+ MolecularWeight: 363.42808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O5/c1-2-20-19(26)21(12-6-9-16(21)18(24)25)13-15(17(22)23)11-10-14-7-4-3-5-8-14/h3-5,7-8,15-16H,2,6,9-13H2,1H3,(H2-,20,22,23,24,25,26)/p+1