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

Systemtic Name: 1-(2-carboxy-4-phenyl-butyl)-1-(methylcarbamoyl)pyrrolidin-1-ium-2-carboxylic acid Openeye Name: 1-(2-carboxy-4-phenyl-butyl)-1-(methylcarbamoyl)pyrrolidin-1-ium-2-carboxylic acid CAS Name: 1-(2-carboxy-4-phenylbutyl)-1-(methylcarbamoyl)-2-pyrrolidin-1-iumcarboxylic acid IUPAC Name: 1-(2-carboxy-4-phenylbutyl)-1-(methylcarbamoyl)pyrrolidin-1-ium-2-carboxylic acid Traditional Name: 1-(2-carboxy-4-phenyl-butyl)-1-(methylcarbamoyl)pyrrolidin-1-ium-2-carboxylic acid Formula: C18H25N2O5+ MolecularWeight: 349.4015

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O5/c1-19-18(25)20(11-5-8-15(20)17(23)24)12-14(16(21)22)10-9-13-6-3-2-4-7-13/h2-4,6-7,14-15H,5,8-12H2,1H3,(H2-,19,21,22,23,24,25)/p+1