ethyl 4-methyl-4-octyl-piperazin-4-ium-1-carboxylate bromide

Systemtic Name: ethyl 4-methyl-4-octyl-piperazin-4-ium-1-carboxylate bromide Openeye Name: ethyl 4-methyl-4-octyl-piperazin-4-ium-1-carboxylate bromide CAS Name: 4-methyl-4-octyl-1-piperazin-4-iumcarboxylic acid ethyl ester bromide IUPAC Name: ethyl 4-methyl-4-octylpiperazin-4-ium-1-carboxylate bromide Traditional Name: 4-methyl-4-octyl-piperazin-4-ium-1-carboxylic acid ethyl ester bromide Formula: C16H33BrN2O2 MolecularWeight: 365.34942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H33N2O2.BrH/c1-4-6-7-8-9-10-13-18(3)14-11-17(12-15-18)16(19)20-5-2;/h4-15H2,1-3H3;1H/q+1;/p-1