ethyl 4-octyl-4-prop-2-ynyl-piperazin-4-ium-1-carboxylate bromide

Systemtic Name: ethyl 4-octyl-4-prop-2-ynyl-piperazin-4-ium-1-carboxylate bromide Openeye Name: ethyl 4-octyl-4-prop-2-ynyl-piperazin-4-ium-1-carboxylate bromide CAS Name: 4-octyl-4-prop-2-ynyl-1-piperazin-4-iumcarboxylic acid ethyl ester bromide IUPAC Name: ethyl 4-octyl-4-prop-2-ynylpiperazin-4-ium-1-carboxylate bromide Traditional Name: 4-octyl-4-propargyl-piperazin-4-ium-1-carboxylic acid ethyl ester bromide Formula: C18H33BrN2O2 MolecularWeight: 389.37082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H33N2O2.BrH/c1-4-7-8-9-10-11-15-20(14-5-2)16-12-19(13-17-20)18(21)22-6-3;/h2H,4,6-17H2,1,3H3;1H/q+1;/p-1