2-[3-[2-[diethyl(methyl)azaniumyl]ethoxycarbonyl]phenanthro[9,10-c]thiophen-1-yl]carbonyloxyethyl-diethyl-methyl-azanium diiodide

Systemtic Name: 2-[3-[2-[diethyl(methyl)azaniumyl]ethoxycarbonyl]phenanthro[9,10-c]thiophen-1-yl]carbonyloxyethyl-diethyl-methyl-azanium diiodide Openeye Name: 2-[3-[2-[diethyl(methyl)ammonio]ethoxycarbonyl]phenanthro[9,10-c]thiophene-1-carbonyl]oxyethyl-diethyl-methyl-ammonium diiodide CAS Name: 2-[[3-[2-[diethyl(methyl)ammonio]ethoxy-oxomethyl]-1-phenanthro[9,10-c]thiophenyl]-oxomethoxy]ethyl-diethyl-methylammonium diiodide IUPAC Name: 2-[3-[2-[diethyl(methyl)azaniumyl]ethoxycarbonyl]phenanthro[9,10-c]thiophene-1-carbonyl]oxyethyl-diethyl-methylazanium diiodide Traditional Name: 2-[3-[2-[diethyl(methyl)ammonio]ethoxycarbonyl]phenanthro[9,10-c]thiophene-1-carbonyl]oxyethyl-diethyl-methyl-ammonium diiodide Formula: C32H42I2N2O4S MolecularWeight: 804.56082

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)CCOC(=O)C1=C2C3=CC=CC=C3C4=CC=CC=C4C2=C(S1)C(=O)OCC[N+](C)(CC)CC.[I-].[I-]

Isomeric SMILES

CC[N+](C)(CC)CCOC(=O)C1=C2C3=CC=CC=C3C4=CC=CC=C4C2=C(S1)C(=O)OCC[N+](C)(CC)CC.[I-].[I-]

InChI

InChI=1S/C32H42N2O4S.2HI/c1-7-33(5,8-2)19-21-37-31(35)29-27-25-17-13-11-15-23(25)24-16-12-14-18-26(24)28(27)30(39-29)32(36)38-22-20-34(6,9-3)10-4;;/h11-18H,7-10,19-22H2,1-6H3;2*1H/q+2;;/p-2