[2-methyl-8-(4-methylpiperazine-1,4-diium-1-yl)octa-3,6-diyn-2-yl] ethanoate

Systemtic Name: [2-methyl-8-(4-methylpiperazine-1,4-diium-1-yl)octa-3,6-diyn-2-yl] ethanoate Openeye Name: [1,1-dimethyl-7-(4-methylpiperazine-1,4-diium-1-yl)hepta-2,5-diynyl] acetate CAS Name: acetic acid [2-methyl-8-(4-methyl-1-piperazine-1,4-diiumyl)octa-3,6-diyn-2-yl] ester IUPAC Name: [2-methyl-8-(4-methylpiperazine-1,4-diium-1-yl)octa-3,6-diyn-2-yl] acetate Traditional Name: acetic acid [1,1-dimethyl-7-(4-methylpiperazine-1,4-diium-1-yl)hepta-2,5-diynyl] ester Formula: C16H26N2O2+2 MolecularWeight: 278.38984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O2/c1-15(19)20-16(2,3)9-7-5-6-8-10-18-13-11-17(4)12-14-18/h5,10-14H2,1-4H3/p+2