[3-[[diethyl(methyl)azaniumyl]methyl]-4-propan-2-yloxy-phenyl]methyl-diethyl-methyl-azanium diiodide

Systemtic Name: [3-[[diethyl(methyl)azaniumyl]methyl]-4-propan-2-yloxy-phenyl]methyl-diethyl-methyl-azanium diiodide Openeye Name: [3-[[diethyl(methyl)ammonio]methyl]-4-isopropoxy-phenyl]methyl-diethyl-methyl-ammonium diiodide CAS Name: [3-[[diethyl(methyl)ammonio]methyl]-4-propan-2-yloxyphenyl]methyl-diethyl-methylammonium diiodide IUPAC Name: [3-[[diethyl(methyl)azaniumyl]methyl]-4-propan-2-yloxyphenyl]methyl-diethyl-methylazanium diiodide Traditional Name: [3-[[diethyl(methyl)ammonio]methyl]-4-isopropoxy-benzyl]-diethyl-methyl-ammonium diiodide Formula: C21H40I2N2O MolecularWeight: 590.36404

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)CC1=CC(=C(C=C1)OC(C)C)C[N+](C)(CC)CC.[I-].[I-]

Isomeric SMILES

CC[N+](C)(CC)CC1=CC(=C(C=C1)OC(C)C)C[N+](C)(CC)CC.[I-].[I-]

InChI

InChI=1S/C21H40N2O.2HI/c1-9-22(7,10-2)16-19-13-14-21(24-18(5)6)20(15-19)17-23(8,11-3)12-4;;/h13-15,18H,9-12,16-17H2,1-8H3;2*1H/q+2;;/p-2