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

Systemtic Name: ethyl 4-methyl-4-pentadecyl-piperazin-4-ium-1-carboxylate bromide Openeye Name: ethyl 4-methyl-4-pentadecyl-piperazin-4-ium-1-carboxylate bromide CAS Name: 4-methyl-4-pentadecyl-1-piperazin-4-iumcarboxylic acid ethyl ester bromide IUPAC Name: ethyl 4-methyl-4-pentadecylpiperazin-4-ium-1-carboxylate bromide Traditional Name: 4-methyl-4-pentadecyl-piperazin-4-ium-1-carboxylic acid ethyl ester bromide Formula: C23H47BrN2O2 MolecularWeight: 463.53548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H47N2O2.BrH/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-20-25(3)21-18-24(19-22-25)23(26)27-5-2;/h4-22H2,1-3H3;1H/q+1;/p-1