4-chloranyl-2-[[3-(pyridin-1-ium-1-ylmethyl)phenyl]carbonylamino]benzoic acid

Systemtic Name: 4-chloranyl-2-[[3-(pyridin-1-ium-1-ylmethyl)phenyl]carbonylamino]benzoic acid Openeye Name: 4-chloro-2-[[3-(pyridin-1-ium-1-ylmethyl)benzoyl]amino]benzoic acid CAS Name: 4-chloro-2-[[oxo-[3-(1-pyridin-1-iumylmethyl)phenyl]methyl]amino]benzoic acid IUPAC Name: 4-chloro-2-[[3-(pyridin-1-ium-1-ylmethyl)benzoyl]amino]benzoic acid Traditional Name: 4-chloro-2-[[3-(pyridin-1-ium-1-ylmethyl)benzoyl]amino]benzoic acid Formula: C20H16ClN2O3+ MolecularWeight: 367.80564

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CC2=CC=CC(=C2)C(=O)NC3=C(C=CC(=C3)Cl)C(=O)O

Isomeric SMILES

C1=CC=[N+](C=C1)CC2=CC=CC(=C2)C(=O)NC3=C(C=CC(=C3)Cl)C(=O)O

InChI

InChI=1S/C20H15ClN2O3/c21-16-7-8-17(20(25)26)18(12-16)22-19(24)15-6-4-5-14(11-15)13-23-9-2-1-3-10-23/h1-12H,13H2,(H-,22,24,25,26)/p+1