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

Systemtic Name: methyl 4-[2-(5-ethyl-2-methyl-pyridin-1-ium-1-yl)ethanoylamino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C18H21N2O3+ MolecularWeight: 313.37094

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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)OC

Isomeric SMILES

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

InChI

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