ethyl 4-(3-pyridin-1-ium-2-ylprop-2-enoylamino)benzoate

Systemtic Name: ethyl 4-(3-pyridin-1-ium-2-ylprop-2-enoylamino)benzoate Openeye Name: ethyl 4-(3-pyridin-1-ium-2-ylprop-2-enoylamino)benzoate CAS Name: 4-[[1-oxo-3-(2-pyridin-1-iumyl)prop-2-enyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(3-pyridin-1-ium-2-ylprop-2-enoylamino)benzoate Traditional Name: 4-[(3-pyridin-1-ium-2-ylacryloyl)amino]benzoic acid ethyl ester Formula: C17H17N2O3+ MolecularWeight: 297.32848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C=CC2=CC=CC=[NH+]2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C=CC2=CC=CC=[NH+]2

InChI

InChI=1S/C17H16N2O3/c1-2-22-17(21)13-6-8-15(9-7-13)19-16(20)11-10-14-5-3-4-12-18-14/h3-12H,2H2,1H3,(H,19,20)/p+1