ethyl 4-[(1-propylpyridin-1-ium-4-yl)carbonylamino]benzoate bromide

Systemtic Name: ethyl 4-[(1-propylpyridin-1-ium-4-yl)carbonylamino]benzoate bromide Openeye Name: ethyl 4-[(1-propylpyridin-1-ium-4-carbonyl)amino]benzoate bromide CAS Name: 4-[[oxo-(1-propyl-4-pyridin-1-iumyl)methyl]amino]benzoic acid ethyl ester bromide IUPAC Name: ethyl 4-[(1-propylpyridin-1-ium-4-carbonyl)amino]benzoate bromide Traditional Name: 4-[(1-propylpyridin-1-ium-4-carbonyl)amino]benzoic acid ethyl ester bromide Formula: C18H21BrN2O3 MolecularWeight: 393.27494

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)OCC.[Br-]

Isomeric SMILES

CCC[N+]1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)OCC.[Br-]

InChI

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