bis[4-(1-methylpiperidin-1-ium-1-yl)but-2-ynyl] hexanedioate

Systemtic Name: bis[4-(1-methylpiperidin-1-ium-1-yl)but-2-ynyl] hexanedioate Openeye Name: bis[4-(1-methylpiperidin-1-ium-1-yl)but-2-ynyl] hexanedioate CAS Name: hexanedioic acid bis[4-(1-methyl-1-piperidin-1-iumyl)but-2-ynyl] ester IUPAC Name: bis[4-(1-methylpiperidin-1-ium-1-yl)but-2-ynyl] hexanedioate Traditional Name: adipic acid bis[4-(1-methylpiperidin-1-ium-1-yl)but-2-ynyl] ester Formula: C26H42N2O4+2 MolecularWeight: 446.62268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)CC#CCOC(=O)CCCCC(=O)OCC#CC[N+]2(CCCCC2)C

Isomeric SMILES

C[N+]1(CCCCC1)CC#CCOC(=O)CCCCC(=O)OCC#CC[N+]2(CCCCC2)C

InChI

InChI=1S/C26H42N2O4/c1-27(17-7-3-8-18-27)21-11-13-23-31-25(29)15-5-6-16-26(30)32-24-14-12-22-28(2)19-9-4-10-20-28/h3-10,15-24H2,1-2H3/q+2