O1-[1-cyclohexa-1,5-dien-1-yl-2-(1-methylpyrrolidin-1-ium-1-yl)ethyl] O4-[2-(1-methylpyrrolidin-1-ium-1-yl)-1-phenyl-ethyl] butanedioate

Systemtic Name: O1-[1-cyclohexa-1,5-dien-1-yl-2-(1-methylpyrrolidin-1-ium-1-yl)ethyl] O4-[2-(1-methylpyrrolidin-1-ium-1-yl)-1-phenyl-ethyl] butanedioate Openeye Name: O1-[1-cyclohexa-1,5-dien-1-yl-2-(1-methylpyrrolidin-1-ium-1-yl)ethyl] O4-[2-(1-methylpyrrolidin-1-ium-1-yl)-1-phenyl-ethyl] butanedioate CAS Name: butanedioic acid O1-[1-(1-cyclohexa-1,5-dienyl)-2-(1-methyl-1-pyrrolidin-1-iumyl)ethyl] ester O4-[2-(1-methyl-1-pyrrolidin-1-iumyl)-1-phenylethyl] ester IUPAC Name: 1-O-[1-cyclohexa-1,5-dien-1-yl-2-(1-methylpyrrolidin-1-ium-1-yl)ethyl] 4-O-[2-(1-methylpyrrolidin-1-ium-1-yl)-1-phenylethyl] butanedioate Traditional Name: succinic acid O1-[1-cyclohexa-1,5-dien-1-yl-2-(1-methylpyrrolidin-1-ium-1-yl)ethyl] ester O4-[2-(1-methylpyrrolidin-1-ium-1-yl)-1-phenyl-ethyl] ester Formula: C30H44N2O4+2 MolecularWeight: 496.68136

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1)CC(C2=CCCC=C2)OC(=O)CCC(=O)OC(C[N+]3(CCCC3)C)C4=CC=CC=C4

Isomeric SMILES

C[N+]1(CCCC1)CC(C2=CCCC=C2)OC(=O)CCC(=O)OC(C[N+]3(CCCC3)C)C4=CC=CC=C4

InChI

InChI=1S/C30H44N2O4/c1-31(19-9-10-20-31)23-27(25-13-5-3-6-14-25)35-29(33)17-18-30(34)36-28(26-15-7-4-8-16-26)24-32(2)21-11-12-22-32/h3,5-7,13-16,27-28H,4,8-12,17-24H2,1-2H3/q+2