ethyl 4-[2-(1-methylpiperidin-1-ium-1-yl)ethanoylamino]benzoate bromide

Systemtic Name: ethyl 4-[2-(1-methylpiperidin-1-ium-1-yl)ethanoylamino]benzoate bromide Openeye Name: ethyl 4-[[2-(1-methylpiperidin-1-ium-1-yl)acetyl]amino]benzoate bromide CAS Name: 4-[[2-(1-methyl-1-piperidin-1-iumyl)-1-oxoethyl]amino]benzoic acid ethyl ester bromide IUPAC Name: ethyl 4-[[2-(1-methylpiperidin-1-ium-1-yl)acetyl]amino]benzoate bromide Traditional Name: 4-[[2-(1-methylpiperidin-1-ium-1-yl)acetyl]amino]benzoic acid ethyl ester bromide Formula: C17H25BrN2O3 MolecularWeight: 385.296

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C[N+]2(CCCCC2)C.[Br-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C[N+]2(CCCCC2)C.[Br-]

InChI

InChI=1S/C17H24N2O3.BrH/c1-3-22-17(21)14-7-9-15(10-8-14)18-16(20)13-19(2)11-5-4-6-12-19;/h7-10H,3-6,11-13H2,1-2H3;1H