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

Systemtic Name: ethyl 4-heptyl-4-methyl-piperazin-4-ium-1-carboxylate bromide Openeye Name: ethyl 4-heptyl-4-methyl-piperazin-4-ium-1-carboxylate bromide CAS Name: 4-heptyl-4-methyl-1-piperazin-4-iumcarboxylic acid ethyl ester bromide IUPAC Name: ethyl 4-heptyl-4-methylpiperazin-4-ium-1-carboxylate bromide Traditional Name: 4-heptyl-4-methyl-piperazin-4-ium-1-carboxylic acid ethyl ester bromide Formula: C15H31BrN2O2 MolecularWeight: 351.32284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H31N2O2.BrH/c1-4-6-7-8-9-12-17(3)13-10-16(11-14-17)15(18)19-5-2;/h4-14H2,1-3H3;1H/q+1;/p-1