ethyl 4-[2-(2,3-dimethylpyridin-1-ium-1-yl)ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-(2,3-dimethylpyridin-1-ium-1-yl)ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(2,3-dimethylpyridin-1-ium-1-yl)acetyl]amino]benzoate CAS Name: 4-[[2-(2,3-dimethyl-1-pyridin-1-iumyl)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(2,3-dimethylpyridin-1-ium-1-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(2,3-dimethylpyridin-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:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C[N+]2=CC=CC(=C2C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C[N+]2=CC=CC(=C2C)C

InChI

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