4-[3,6-bis(oxidanylidene)-1,4-diphenyl-5-[4-(triethylazaniumyl)butyl]pyrrolo[3,4-c]pyrrol-2-yl]butyl-triethyl-azanium dibromide

Systemtic Name: 4-[3,6-bis(oxidanylidene)-1,4-diphenyl-5-[4-(triethylazaniumyl)butyl]pyrrolo[3,4-c]pyrrol-2-yl]butyl-triethyl-azanium dibromide Openeye Name: 4-[3,6-dioxo-1,4-diphenyl-5-[4-(triethylammonio)butyl]pyrrolo[3,4-c]pyrrol-2-yl]butyl-triethyl-ammonium dibromide CAS Name: 4-[3,6-dioxo-1,4-diphenyl-5-[4-(triethylammonio)butyl]-2-pyrrolo[3,4-c]pyrrolyl]butyl-triethylammonium dibromide IUPAC Name: 4-[3,6-dioxo-1,4-diphenyl-5-[4-(triethylazaniumyl)butyl]pyrrolo[3,4-c]pyrrol-2-yl]butyl-triethylazanium dibromide Traditional Name: 4-[3,6-diketo-1,4-diphenyl-5-[4-(triethylammonio)butyl]pyrrolo[3,4-c]pyrrol-2-yl]butyl-triethyl-ammonium dibromide Formula: C38H56Br2N4O2 MolecularWeight: 760.68484

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CC)CCCCN1C(=C2C(=C(N(C2=O)CCCC[N+](CC)(CC)CC)C3=CC=CC=C3)C1=O)C4=CC=CC=C4.[Br-].[Br-]

Isomeric SMILES

CC[N+](CC)(CC)CCCCN1C(=C2C(=C(N(C2=O)CCCC[N+](CC)(CC)CC)C3=CC=CC=C3)C1=O)C4=CC=CC=C4.[Br-].[Br-]

InChI

InChI=1S/C38H56N4O2.2BrH/c1-7-41(8-2,9-3)29-21-19-27-39-35(31-23-15-13-16-24-31)33-34(37(39)43)36(32-25-17-14-18-26-32)40(38(33)44)28-20-22-30-42(10-4,11-5)12-6;;/h13-18,23-26H,7-12,19-22,27-30H2,1-6H3;2*1H/q+2;;/p-2