ethyl 4-[2-(4-ethylpyridin-1-ium-1-yl)ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-(4-ethylpyridin-1-ium-1-yl)ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(4-ethylpyridin-1-ium-1-yl)acetyl]amino]benzoate CAS Name: 4-[[2-(4-ethyl-1-pyridin-1-iumyl)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-ethylpyridin-1-ium-1-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(4-ethylpyridin-1-ium-1-yl)acetyl]amino]benzoic acid ethyl ester Formula: C18H21N2O3+ MolecularWeight: 313.37094

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=[N+](C=C1)CC(=O)NC2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCC1=CC=[N+](C=C1)CC(=O)NC2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C18H20N2O3/c1-3-14-9-11-20(12-10-14)13-17(21)19-16-7-5-15(6-8-16)18(22)23-4-2/h5-12H,3-4,13H2,1-2H3/p+1