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

Systemtic Name: bis[2-(1-methylazepan-1-ium-1-yl)ethyl] butanedioate Openeye Name: bis[2-(1-methylazepan-1-ium-1-yl)ethyl] butanedioate CAS Name: butanedioic acid bis[2-(1-methyl-1-azepan-1-iumyl)ethyl] ester IUPAC Name: bis[2-(1-methylazepan-1-ium-1-yl)ethyl] butanedioate Traditional Name: succinic acid bis[2-(1-methylazepan-1-ium-1-yl)ethyl] ester Formula: C22H42N2O4+2 MolecularWeight: 398.57988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H42N2O4/c1-23(13-7-3-4-8-14-23)17-19-27-21(25)11-12-22(26)28-20-18-24(2)15-9-5-6-10-16-24/h3-20H2,1-2H3/q+2