[(2S)-6-(4-methylpiperazine-1,4-diium-1-yl)hex-4-yn-2-yl] ethanoate

Systemtic Name: [(2S)-6-(4-methylpiperazine-1,4-diium-1-yl)hex-4-yn-2-yl] ethanoate Openeye Name: [(1S)-1-methyl-5-(4-methylpiperazine-1,4-diium-1-yl)pent-3-ynyl] acetate CAS Name: acetic acid [(2S)-6-(4-methyl-1-piperazine-1,4-diiumyl)hex-4-yn-2-yl] ester IUPAC Name: [(2S)-6-(4-methylpiperazine-1,4-diium-1-yl)hex-4-yn-2-yl] acetate Traditional Name: acetic acid [(1S)-1-methyl-5-(4-methylpiperazine-1,4-diium-1-yl)pent-3-ynyl] ester Formula: C13H24N2O2+2 MolecularWeight: 240.34186

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC#CC[NH+]1CC[NH+](CC1)C)OC(=O)C

Isomeric SMILES

C[C@@H](CC#CC[NH+]1CC[NH+](CC1)C)OC(=O)C

InChI

InChI=1S/C13H22N2O2/c1-12(17-13(2)16)6-4-5-7-15-10-8-14(3)9-11-15/h12H,6-11H2,1-3H3/p+2/t12-/m0/s1