4-(2-pyrrolidin-1-ium-1-ylethanoylamino)benzoate

Systemtic Name: 4-(2-pyrrolidin-1-ium-1-ylethanoylamino)benzoate Openeye Name: 4-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]benzoate CAS Name: 4-[[1-oxo-2-(1-pyrrolidin-1-iumyl)ethyl]amino]benzoate IUPAC Name: 4-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]benzoate Traditional Name: 4-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]benzoate Formula: C13H16N2O3 MolecularWeight: 248.27774

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC(=O)NC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CC(=O)NC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C13H16N2O3/c16-12(9-15-7-1-2-8-15)14-11-5-3-10(4-6-11)13(17)18/h3-6H,1-2,7-9H2,(H,14,16)(H,17,18)