5-[3-[5-[diethyl(methyl)azaniumyl]pentoxycarbonyl]-2,4-diphenyl-cyclobutyl]carbonyloxypentyl-diethyl-methyl-azanium diiodide

Systemtic Name: 5-[3-[5-[diethyl(methyl)azaniumyl]pentoxycarbonyl]-2,4-diphenyl-cyclobutyl]carbonyloxypentyl-diethyl-methyl-azanium diiodide Openeye Name: 5-[3-[5-[diethyl(methyl)ammonio]pentoxycarbonyl]-2,4-diphenyl-cyclobutanecarbonyl]oxypentyl-diethyl-methyl-ammonium diiodide CAS Name: 5-[[3-[5-[diethyl(methyl)ammonio]pentoxy-oxomethyl]-2,4-diphenylcyclobutyl]-oxomethoxy]pentyl-diethyl-methylammonium diiodide IUPAC Name: 5-[3-[5-[diethyl(methyl)azaniumyl]pentoxycarbonyl]-2,4-diphenylcyclobutanecarbonyl]oxypentyl-diethyl-methylazanium diiodide Traditional Name: 5-[3-[5-[diethyl(methyl)ammonio]pentoxycarbonyl]-2,4-diphenyl-cyclobutanecarbonyl]oxypentyl-diethyl-methyl-ammonium diiodide Formula: C38H60I2N2O4 MolecularWeight: 862.70294

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)CCCCCOC(=O)C1C(C(C1C2=CC=CC=C2)C(=O)OCCCCC[N+](C)(CC)CC)C3=CC=CC=C3.[I-].[I-]

Isomeric SMILES

CC[N+](C)(CC)CCCCCOC(=O)C1C(C(C1C2=CC=CC=C2)C(=O)OCCCCC[N+](C)(CC)CC)C3=CC=CC=C3.[I-].[I-]

InChI

InChI=1S/C38H60N2O4.2HI/c1-7-39(5,8-2)27-19-13-21-29-43-37(41)35-33(31-23-15-11-16-24-31)36(34(35)32-25-17-12-18-26-32)38(42)44-30-22-14-20-28-40(6,9-3)10-4;;/h11-12,15-18,23-26,33-36H,7-10,13-14,19-22,27-30H2,1-6H3;2*1H/q+2;;/p-2