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

Systemtic Name: ethyl 4-decyl-4-prop-2-ynyl-piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-decyl-4-prop-2-ynyl-piperazin-4-ium-1-carboxylate CAS Name: 4-decyl-4-prop-2-ynyl-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-decyl-4-prop-2-ynylpiperazin-4-ium-1-carboxylate Traditional Name: 4-decyl-4-propargyl-piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C20H37N2O2+ MolecularWeight: 337.51998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H37N2O2/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/q+1