2-[5-[2-[diethyl(methyl)azaniumyl]ethoxycarbonyl]-3,4-bis(furan-2-yl)thiophen-2-yl]carbonyloxyethyl-diethyl-methyl-azanium diiodide

Systemtic Name: 2-[5-[2-[diethyl(methyl)azaniumyl]ethoxycarbonyl]-3,4-bis(furan-2-yl)thiophen-2-yl]carbonyloxyethyl-diethyl-methyl-azanium diiodide Openeye Name: 2-[5-[2-[diethyl(methyl)ammonio]ethoxycarbonyl]-3,4-bis(2-furyl)thiophene-2-carbonyl]oxyethyl-diethyl-methyl-ammonium diiodide CAS Name: 2-[[5-[2-[diethyl(methyl)ammonio]ethoxy-oxomethyl]-3,4-bis(2-furanyl)-2-thiophenyl]-oxomethoxy]ethyl-diethyl-methylammonium diiodide IUPAC Name: 2-[5-[2-[diethyl(methyl)azaniumyl]ethoxycarbonyl]-3,4-bis(furan-2-yl)thiophene-2-carbonyl]oxyethyl-diethyl-methylazanium diiodide Traditional Name: 2-[5-[2-[diethyl(methyl)ammonio]ethoxycarbonyl]-3,4-bis(2-furyl)thiophene-2-carbonyl]oxyethyl-diethyl-methyl-ammonium diiodide Formula: C28H40I2N2O6S MolecularWeight: 786.50094

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)CCOC(=O)C1=C(C(=C(S1)C(=O)OCC[N+](C)(CC)CC)C2=CC=CO2)C3=CC=CO3.[I-].[I-]

Isomeric SMILES

CC[N+](C)(CC)CCOC(=O)C1=C(C(=C(S1)C(=O)OCC[N+](C)(CC)CC)C2=CC=CO2)C3=CC=CO3.[I-].[I-]

InChI

InChI=1S/C28H40N2O6S.2HI/c1-7-29(5,8-2)15-19-35-27(31)25-23(21-13-11-17-33-21)24(22-14-12-18-34-22)26(37-25)28(32)36-20-16-30(6,9-3)10-4;;/h11-14,17-18H,7-10,15-16,19-20H2,1-6H3;2*1H/q+2;;/p-2