methyl 4-[2-(3-phenylpyridin-1-ium-1-yl)ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-(3-phenylpyridin-1-ium-1-yl)ethanoylamino]benzoate Openeye Name: methyl 4-[[2-(3-phenylpyridin-1-ium-1-yl)acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-(3-phenyl-1-pyridin-1-iumyl)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(3-phenylpyridin-1-ium-1-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(3-phenylpyridin-1-ium-1-yl)acetyl]amino]benzoic acid methyl ester Formula: C21H19N2O3+ MolecularWeight: 347.38716

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C[N+]2=CC=CC(=C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C[N+]2=CC=CC(=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H18N2O3/c1-26-21(25)17-9-11-19(12-10-17)22-20(24)15-23-13-5-8-18(14-23)16-6-3-2-4-7-16/h2-14H,15H2,1H3/p+1