ethyl 4-(2-ethoxy-2-oxidanylidene-ethyl)-4-octyl-piperazin-4-ium-1-carboxylate bromide

Systemtic Name: ethyl 4-(2-ethoxy-2-oxidanylidene-ethyl)-4-octyl-piperazin-4-ium-1-carboxylate bromide Openeye Name: ethyl 4-(2-ethoxy-2-oxo-ethyl)-4-octyl-piperazin-4-ium-1-carboxylate bromide CAS Name: 4-(2-ethoxy-2-oxoethyl)-4-octyl-1-piperazin-4-iumcarboxylic acid ethyl ester bromide IUPAC Name: ethyl 4-(2-ethoxy-2-oxoethyl)-4-octylpiperazin-4-ium-1-carboxylate bromide Traditional Name: 4-(2-ethoxy-2-keto-ethyl)-4-octyl-piperazin-4-ium-1-carboxylic acid ethyl ester bromide Formula: C19H37BrN2O4 MolecularWeight: 437.41208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+]1(CCN(CC1)C(=O)OCC)CC(=O)OCC.[Br-]

Isomeric SMILES

CCCCCCCC[N+]1(CCN(CC1)C(=O)OCC)CC(=O)OCC.[Br-]

InChI

InChI=1S/C19H37N2O4.BrH/c1-4-7-8-9-10-11-14-21(17-18(22)24-5-2)15-12-20(13-16-21)19(23)25-6-3;/h4-17H2,1-3H3;1H/q+1;/p-1