4-[3-[4-[diethyl(methyl)azaniumyl]butoxycarbonyl]-2,4-diphenyl-cyclobutyl]carbonyloxybutyl-diethyl-methyl-azanium diiodide

Systemtic Name: 4-[3-[4-[diethyl(methyl)azaniumyl]butoxycarbonyl]-2,4-diphenyl-cyclobutyl]carbonyloxybutyl-diethyl-methyl-azanium diiodide Openeye Name: 4-[3-[4-[diethyl(methyl)ammonio]butoxycarbonyl]-2,4-diphenyl-cyclobutanecarbonyl]oxybutyl-diethyl-methyl-ammonium diiodide CAS Name: 4-[[3-[4-[diethyl(methyl)ammonio]butoxy-oxomethyl]-2,4-diphenylcyclobutyl]-oxomethoxy]butyl-diethyl-methylammonium diiodide IUPAC Name: 4-[3-[4-[diethyl(methyl)azaniumyl]butoxycarbonyl]-2,4-diphenylcyclobutanecarbonyl]oxybutyl-diethyl-methylazanium diiodide Traditional Name: 4-[3-[4-[diethyl(methyl)ammonio]butoxycarbonyl]-2,4-diphenyl-cyclobutanecarbonyl]oxybutyl-diethyl-methyl-ammonium diiodide Formula: C36H56I2N2O4 MolecularWeight: 834.64978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H56N2O4.2HI/c1-7-37(5,8-2)25-17-19-27-41-35(39)33-31(29-21-13-11-14-22-29)34(32(33)30-23-15-12-16-24-30)36(40)42-28-20-18-26-38(6,9-3)10-4;;/h11-16,21-24,31-34H,7-10,17-20,25-28H2,1-6H3;2*1H/q+2;;/p-2