2-[1-(1-oxidanidyl-2-oxidanyl-2H-pyrrol-1-ium-5-yl)ethyl]-3-phenyl-1-propyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 2-[1-(1-oxidanidyl-2-oxidanyl-2H-pyrrol-1-ium-5-yl)ethyl]-3-phenyl-1-propyl-pyrrolidine-2-carboxylic acid Openeye Name: 2-[1-(2-hydroxy-1-oxido-2H-pyrrol-1-ium-5-yl)ethyl]-3-phenyl-1-propyl-pyrrolidine-2-carboxylic acid CAS Name: 2-[1-(2-hydroxy-1-oxido-2H-pyrrol-1-ium-5-yl)ethyl]-3-phenyl-1-propyl-2-pyrrolidinecarboxylic acid IUPAC Name: 2-[1-(2-hydroxy-1-oxido-2H-pyrrol-1-ium-5-yl)ethyl]-3-phenyl-1-propylpyrrolidine-2-carboxylic acid Traditional Name: 2-[1-(2-hydroxy-1-oxido-2H-pyrrol-1-ium-5-yl)ethyl]-3-phenyl-1-propyl-proline Formula: C20H26N2O4 MolecularWeight: 358.43144

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCC(C1(C(C)C2=[N+](C(C=C2)O)[O-])C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CCCN1CCC(C1(C(C)C2=[N+](C(C=C2)O)[O-])C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C20H26N2O4/c1-3-12-21-13-11-16(15-7-5-4-6-8-15)20(21,19(24)25)14(2)17-9-10-18(23)22(17)26/h4-10,14,16,18,23H,3,11-13H2,1-2H3,(H,24,25)