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

Systemtic Name: ethyl 4-[2-(1-methylpiperidin-1-ium-1-yl)propanoylamino]benzoate bromide Openeye Name: ethyl 4-[2-(1-methylpiperidin-1-ium-1-yl)propanoylamino]benzoate bromide CAS Name: 4-[[2-(1-methyl-1-piperidin-1-iumyl)-1-oxopropyl]amino]benzoic acid ethyl ester bromide IUPAC Name: ethyl 4-[2-(1-methylpiperidin-1-ium-1-yl)propanoylamino]benzoate bromide Traditional Name: 4-[2-(1-methylpiperidin-1-ium-1-yl)propanoylamino]benzoic acid ethyl ester bromide Formula: C18H27BrN2O3 MolecularWeight: 399.32258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O3.BrH/c1-4-23-18(22)15-8-10-16(11-9-15)19-17(21)14(2)20(3)12-6-5-7-13-20;/h8-11,14H,4-7,12-13H2,1-3H3;1H