methyl 6-piperidin-1-ium-1-yl-2-(4-piperidin-1-ium-1-ylbut-2-ynyl)hex-4-ynoate

Systemtic Name: methyl 6-piperidin-1-ium-1-yl-2-(4-piperidin-1-ium-1-ylbut-2-ynyl)hex-4-ynoate Openeye Name: methyl 6-piperidin-1-ium-1-yl-2-(4-piperidin-1-ium-1-ylbut-2-ynyl)hex-4-ynoate CAS Name: 6-(1-piperidin-1-iumyl)-2-[4-(1-piperidin-1-iumyl)but-2-ynyl]-4-hexynoic acid methyl ester IUPAC Name: methyl 6-piperidin-1-ium-1-yl-2-(4-piperidin-1-ium-1-ylbut-2-ynyl)hex-4-ynoate Traditional Name: 6-piperidin-1-ium-1-yl-2-(4-piperidin-1-ium-1-ylbut-2-ynyl)hex-4-ynoic acid methyl ester Formula: C21H34N2O2+2 MolecularWeight: 346.50686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC#CC[NH+]1CCCCC1)CC#CC[NH+]2CCCCC2

Isomeric SMILES

COC(=O)C(CC#CC[NH+]1CCCCC1)CC#CC[NH+]2CCCCC2

InChI

InChI=1S/C21H32N2O2/c1-25-21(24)20(12-4-10-18-22-14-6-2-7-15-22)13-5-11-19-23-16-8-3-9-17-23/h20H,2-3,6-9,12-19H2,1H3/p+2