1-(3-aminocarbonylpyridin-1-ium-1-yl)ethyl benzoate

Systemtic Name: 1-(3-aminocarbonylpyridin-1-ium-1-yl)ethyl benzoate Openeye Name: 1-(3-carbamoylpyridin-1-ium-1-yl)ethyl benzoate CAS Name: benzoic acid 1-(3-carbamoyl-1-pyridin-1-iumyl)ethyl ester IUPAC Name: 1-(3-carbamoylpyridin-1-ium-1-yl)ethyl benzoate Traditional Name: benzoic acid 1-(3-carbamoylpyridin-1-ium-1-yl)ethyl ester Formula: C15H15N2O3+ MolecularWeight: 271.2912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N2O3/c1-11(17-9-5-8-13(10-17)14(16)18)20-15(19)12-6-3-2-4-7-12/h2-11H,1H3,(H-,16,18)/p+1