bis[2-(1-methylazepan-1-ium-1-yl)ethyl] hexanedioate

Systemtic Name: bis[2-(1-methylazepan-1-ium-1-yl)ethyl] hexanedioate Openeye Name: bis[2-(1-methylazepan-1-ium-1-yl)ethyl] hexanedioate CAS Name: hexanedioic acid bis[2-(1-methyl-1-azepan-1-iumyl)ethyl] ester IUPAC Name: bis[2-(1-methylazepan-1-ium-1-yl)ethyl] hexanedioate Traditional Name: adipic acid bis[2-(1-methylazepan-1-ium-1-yl)ethyl] ester Formula: C24H46N2O4+2 MolecularWeight: 426.63304

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCCC1)CCOC(=O)CCCCC(=O)OCC[N+]2(CCCCCC2)C

Isomeric SMILES

C[N+]1(CCCCCC1)CCOC(=O)CCCCC(=O)OCC[N+]2(CCCCCC2)C

InChI

InChI=1S/C24H46N2O4/c1-25(15-9-3-4-10-16-25)19-21-29-23(27)13-7-8-14-24(28)30-22-20-26(2)17-11-5-6-12-18-26/h3-22H2,1-2H3/q+2