ethyl 4-prop-2-ynyl-4-undecyl-piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-prop-2-ynyl-4-undecyl-piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-prop-2-ynyl-4-undecyl-piperazin-4-ium-1-carboxylate CAS Name: 4-prop-2-ynyl-4-undecyl-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-prop-2-ynyl-4-undecylpiperazin-4-ium-1-carboxylate Traditional Name: 4-propargyl-4-undecyl-piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C21H39N2O2+ MolecularWeight: 351.54656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC[N+]1(CCN(CC1)C(=O)OCC)CC#C

Isomeric SMILES

CCCCCCCCCCC[N+]1(CCN(CC1)C(=O)OCC)CC#C

InChI

InChI=1S/C21H39N2O2/c1-4-7-8-9-10-11-12-13-14-18-23(17-5-2)19-15-22(16-20-23)21(24)25-6-3/h2H,4,6-20H2,1,3H3/q+1