ethyl 4-[2-(5-ethyl-2-methyl-pyridin-1-ium-1-yl)ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-(5-ethyl-2-methyl-pyridin-1-ium-1-yl)ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(5-ethyl-2-methyl-pyridin-1-ium-1-yl)acetyl]amino]benzoate CAS Name: 4-[[2-(5-ethyl-2-methyl-1-pyridin-1-iumyl)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(5-ethyl-2-methylpyridin-1-ium-1-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(5-ethyl-2-methyl-pyridin-1-ium-1-yl)acetyl]amino]benzoic acid ethyl ester Formula: C19H23N2O3+ MolecularWeight: 327.39752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O3/c1-4-15-7-6-14(3)21(12-15)13-18(22)20-17-10-8-16(9-11-17)19(23)24-5-2/h6-12H,4-5,13H2,1-3H3/p+1