1-[(4-chlorophenyl)carbonylamino]-5-oxidanylidene-1-pentyl-pyrrolidin-1-ium-3-carboxylic acid

Systemtic Name: 1-[(4-chlorophenyl)carbonylamino]-5-oxidanylidene-1-pentyl-pyrrolidin-1-ium-3-carboxylic acid Openeye Name: 1-[(4-chlorobenzoyl)amino]-5-oxo-1-pentyl-pyrrolidin-1-ium-3-carboxylic acid CAS Name: 1-[[(4-chlorophenyl)-oxomethyl]amino]-5-oxo-1-pentyl-3-pyrrolidin-1-iumcarboxylic acid IUPAC Name: 1-[(4-chlorobenzoyl)amino]-5-oxo-1-pentylpyrrolidin-1-ium-3-carboxylic acid Traditional Name: 1-amyl-1-[(4-chlorobenzoyl)amino]-5-keto-pyrrolidin-1-ium-3-carboxylic acid Formula: C17H22ClN2O4+ MolecularWeight: 353.82058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[N+]1(CC(CC1=O)C(=O)O)NC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCC[N+]1(CC(CC1=O)C(=O)O)NC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H21ClN2O4/c1-2-3-4-9-20(11-13(17(23)24)10-15(20)21)19-16(22)12-5-7-14(18)8-6-12/h5-8,13H,2-4,9-11H2,1H3,(H-,19,22,23,24)/p+1