methyl 4-[2-(4-propylpyridin-1-ium-1-yl)ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-(4-propylpyridin-1-ium-1-yl)ethanoylamino]benzoate Openeye Name: methyl 4-[[2-(4-propylpyridin-1-ium-1-yl)acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-(4-propyl-1-pyridin-1-iumyl)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(4-propylpyridin-1-ium-1-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(4-propylpyridin-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:

CCCC1=CC=[N+](C=C1)CC(=O)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCCC1=CC=[N+](C=C1)CC(=O)NC2=CC=C(C=C2)C(=O)OC

InChI

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