[(3S)-3-methyl-6-(4-methylpiperazin-4-ium-1-yl)hex-4-yn-3-yl] ethanoate

Systemtic Name: [(3S)-3-methyl-6-(4-methylpiperazin-4-ium-1-yl)hex-4-yn-3-yl] ethanoate Openeye Name: [(1S)-1-ethyl-1-methyl-4-(4-methylpiperazin-4-ium-1-yl)but-2-ynyl] acetate CAS Name: acetic acid [(3S)-3-methyl-6-(4-methyl-1-piperazin-4-iumyl)hex-4-yn-3-yl] ester IUPAC Name: [(3S)-3-methyl-6-(4-methylpiperazin-4-ium-1-yl)hex-4-yn-3-yl] acetate Traditional Name: acetic acid [(1S)-1-ethyl-1-methyl-4-(4-methylpiperazin-4-ium-1-yl)but-2-ynyl] ester Formula: C14H25N2O2+ MolecularWeight: 253.3605

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C#CCN1CC[NH+](CC1)C)OC(=O)C

Isomeric SMILES

CC[C@@](C)(C#CCN1CC[NH+](CC1)C)OC(=O)C

InChI

InChI=1S/C14H24N2O2/c1-5-14(3,18-13(2)17)7-6-8-16-11-9-15(4)10-12-16/h5,8-12H2,1-4H3/p+1/t14-/m0/s1