2-[(1-pentylpyridin-1-ium-4-yl)carbamoyl]benzoic acid

Systemtic Name: 2-[(1-pentylpyridin-1-ium-4-yl)carbamoyl]benzoic acid Openeye Name: 2-[(1-pentylpyridin-1-ium-4-yl)carbamoyl]benzoic acid CAS Name: 2-[oxo-[(1-pentyl-4-pyridin-1-iumyl)amino]methyl]benzoic acid IUPAC Name: 2-[(1-pentylpyridin-1-ium-4-yl)carbamoyl]benzoic acid Traditional Name: 2-[(1-amylpyridin-1-ium-4-yl)carbamoyl]benzoic acid Formula: C18H21N2O3+ MolecularWeight: 313.37094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[N+]1=CC=C(C=C1)NC(=O)C2=CC=CC=C2C(=O)O

Isomeric SMILES

CCCCC[N+]1=CC=C(C=C1)NC(=O)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C18H20N2O3/c1-2-3-6-11-20-12-9-14(10-13-20)19-17(21)15-7-4-5-8-16(15)18(22)23/h4-5,7-10,12-13H,2-3,6,11H2,1H3,(H,22,23)/p+1