bis(2-quinolin-1-ium-1-ylethyl) butanedioate

Systemtic Name: bis(2-quinolin-1-ium-1-ylethyl) butanedioate Openeye Name: bis(2-quinolin-1-ium-1-ylethyl) butanedioate CAS Name: butanedioic acid bis[2-(1-quinolin-1-iumyl)ethyl] ester IUPAC Name: bis(2-quinolin-1-ium-1-ylethyl) butanedioate Traditional Name: succinic acid bis(2-quinolin-1-ium-1-ylethyl) ester Formula: C26H26N2O4+2 MolecularWeight: 430.49564

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=[N+]2CCOC(=O)CCC(=O)OCC[N+]3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=[N+]2CCOC(=O)CCC(=O)OCC[N+]3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C26H26N2O4/c29-25(31-19-17-27-15-5-9-21-7-1-3-11-23(21)27)13-14-26(30)32-20-18-28-16-6-10-22-8-2-4-12-24(22)28/h1-12,15-16H,13-14,17-20H2/q+2