2-[4-[4-[2-[diethyl(3-oxidanylpropyl)azaniumyl]-2-oxidanylidene-ethyl]phenyl]phenyl]ethanoyl-diethyl-(3-oxidanylpropyl)azanium dibromide

Systemtic Name: 2-[4-[4-[2-[diethyl(3-oxidanylpropyl)azaniumyl]-2-oxidanylidene-ethyl]phenyl]phenyl]ethanoyl-diethyl-(3-oxidanylpropyl)azanium dibromide Openeye Name: [2-[4-[4-[2-[diethyl(3-hydroxypropyl)ammonio]-2-oxo-ethyl]phenyl]phenyl]acetyl]-diethyl-(3-hydroxypropyl)ammonium dibromide CAS Name: [2-[4-[4-[2-[diethyl(3-hydroxypropyl)ammonio]-2-oxoethyl]phenyl]phenyl]-1-oxoethyl]-diethyl-(3-hydroxypropyl)ammonium dibromide IUPAC Name: [2-[4-[4-[2-[diethyl(3-hydroxypropyl)azaniumyl]-2-oxoethyl]phenyl]phenyl]acetyl]-diethyl-(3-hydroxypropyl)azanium dibromide Traditional Name: [2-[4-[4-[2-[diethyl(3-hydroxypropyl)ammonio]-2-keto-ethyl]phenyl]phenyl]acetyl]-diethyl-(3-hydroxypropyl)ammonium dibromide Formula: C30H46Br2N2O4 MolecularWeight: 658.50524

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CCCO)C(=O)CC1=CC=C(C=C1)C2=CC=C(C=C2)CC(=O)[N+](CC)(CC)CCCO.[Br-].[Br-]

Isomeric SMILES

CC[N+](CC)(CCCO)C(=O)CC1=CC=C(C=C1)C2=CC=C(C=C2)CC(=O)[N+](CC)(CC)CCCO.[Br-].[Br-]

InChI

InChI=1S/C30H46N2O4.2BrH/c1-5-31(6-2,19-9-21-33)29(35)23-25-11-15-27(16-12-25)28-17-13-26(14-18-28)24-30(36)32(7-3,8-4)20-10-22-34;;/h11-18,33-34H,5-10,19-24H2,1-4H3;2*1H/q+2;;/p-2