4-(2-pyridin-1-ium-1-ylethanoylamino)benzoic acid

Systemtic Name: 4-(2-pyridin-1-ium-1-ylethanoylamino)benzoic acid Openeye Name: 4-[(2-pyridin-1-ium-1-ylacetyl)amino]benzoic acid CAS Name: 4-[[1-oxo-2-(1-pyridin-1-iumyl)ethyl]amino]benzoic acid IUPAC Name: 4-[(2-pyridin-1-ium-1-ylacetyl)amino]benzoic acid Traditional Name: 4-[(2-pyridin-1-ium-1-ylacetyl)amino]benzoic acid Formula: C14H13N2O3+ MolecularWeight: 257.26462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CC(=O)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1=CC=[N+](C=C1)CC(=O)NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C14H12N2O3/c17-13(10-16-8-2-1-3-9-16)15-12-6-4-11(5-7-12)14(18)19/h1-9H,10H2,(H-,15,17,18,19)/p+1