6-(4-methylpiperazin-1-yl)hex-4-yn-3-yl ethanoate

Systemtic Name: 6-(4-methylpiperazin-1-yl)hex-4-yn-3-yl ethanoate Openeye Name: [1-ethyl-4-(4-methylpiperazin-1-yl)but-2-ynyl] acetate CAS Name: acetic acid 6-(4-methyl-1-piperazinyl)hex-4-yn-3-yl ester IUPAC Name: 6-(4-methylpiperazin-1-yl)hex-4-yn-3-yl acetate Traditional Name: acetic acid [1-ethyl-4-(4-methylpiperazino)but-2-ynyl] ester Formula: C13H22N2O2 MolecularWeight: 238.32598

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C#CCN1CCN(CC1)C)OC(=O)C

Isomeric SMILES

CCC(C#CCN1CCN(CC1)C)OC(=O)C

InChI

InChI=1S/C13H22N2O2/c1-4-13(17-12(2)16)6-5-7-15-10-8-14(3)9-11-15/h13H,4,7-11H2,1-3H3