methyl 3-[(1-methylpyridin-1-ium-3-yl)carbonylamino]benzoate

Systemtic Name: methyl 3-[(1-methylpyridin-1-ium-3-yl)carbonylamino]benzoate Openeye Name: methyl 3-[(1-methylpyridin-1-ium-3-carbonyl)amino]benzoate CAS Name: 3-[[(1-methyl-3-pyridin-1-iumyl)-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(1-methylpyridin-1-ium-3-carbonyl)amino]benzoate Traditional Name: 3-[(1-methylpyridin-1-ium-3-carbonyl)amino]benzoic acid methyl ester Formula: C15H15N2O3+ MolecularWeight: 271.2912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C(=O)NC2=CC=CC(=C2)C(=O)OC

Isomeric SMILES

C[N+]1=CC=CC(=C1)C(=O)NC2=CC=CC(=C2)C(=O)OC

InChI

InChI=1S/C15H14N2O3/c1-17-8-4-6-12(10-17)14(18)16-13-7-3-5-11(9-13)15(19)20-2/h3-10H,1-2H3/p+1