[2-methyl-5-(4-methylpiperazin-4-ium-1-yl)pent-3-yn-2-yl] ethanoate

Systemtic Name: [2-methyl-5-(4-methylpiperazin-4-ium-1-yl)pent-3-yn-2-yl] ethanoate Openeye Name: [1,1-dimethyl-4-(4-methylpiperazin-4-ium-1-yl)but-2-ynyl] acetate CAS Name: acetic acid [2-methyl-5-(4-methyl-1-piperazin-4-iumyl)pent-3-yn-2-yl] ester IUPAC Name: [2-methyl-5-(4-methylpiperazin-4-ium-1-yl)pent-3-yn-2-yl] acetate Traditional Name: acetic acid [1,1-dimethyl-4-(4-methylpiperazin-4-ium-1-yl)but-2-ynyl] ester Formula: C13H23N2O2+ MolecularWeight: 239.33392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H22N2O2/c1-12(16)17-13(2,3)6-5-7-15-10-8-14(4)9-11-15/h7-11H2,1-4H3/p+1