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

Systemtic Name: ethyl 4-decyl-4-prop-2-ynyl-piperazin-4-ium-1-carboxylate bromide Openeye Name: ethyl 4-decyl-4-prop-2-ynyl-piperazin-4-ium-1-carboxylate bromide CAS Name: 4-decyl-4-prop-2-ynyl-1-piperazin-4-iumcarboxylic acid ethyl ester bromide IUPAC Name: ethyl 4-decyl-4-prop-2-ynylpiperazin-4-ium-1-carboxylate bromide Traditional Name: 4-decyl-4-propargyl-piperazin-4-ium-1-carboxylic acid ethyl ester bromide Formula: C20H37BrN2O2 MolecularWeight: 417.42398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H37N2O2.BrH/c1-4-7-8-9-10-11-12-13-17-22(16-5-2)18-14-21(15-19-22)20(23)24-6-3;/h2H,4,6-19H2,1,3H3;1H/q+1;/p-1