9-methyl-9-[7-[9-methyl-3-(phenylmethyl)-3-aza-9-azoniabicyclo[3.3.1]nonan-9-yl]heptyl]-3-(phenylmethyl)-3-aza-9-azoniabicyclo[3.3.1]nonane diiodide

Systemtic Name: 9-methyl-9-[7-[9-methyl-3-(phenylmethyl)-3-aza-9-azoniabicyclo[3.3.1]nonan-9-yl]heptyl]-3-(phenylmethyl)-3-aza-9-azoniabicyclo[3.3.1]nonane diiodide Openeye Name: 3-benzyl-9-[7-(3-benzyl-9-methyl-3-aza-9-azoniabicyclo[3.3.1]nonan-9-yl)heptyl]-9-methyl-3-aza-9-azoniabicyclo[3.3.1]nonane diiodide CAS Name: 9-methyl-9-[7-[9-methyl-3-(phenylmethyl)-3-aza-9-azoniabicyclo[3.3.1]nonan-9-yl]heptyl]-3-(phenylmethyl)-3-aza-9-azoniabicyclo[3.3.1]nonane diiodide IUPAC Name: 3-benzyl-9-[7-(3-benzyl-9-methyl-3-aza-9-azoniabicyclo[3.3.1]nonan-9-yl)heptyl]-9-methyl-3-aza-9-azoniabicyclo[3.3.1]nonane diiodide Traditional Name: 3-benzyl-9-[7-(3-benzyl-9-methyl-3-aza-9-azoniabicyclo[3.3.1]nonan-9-yl)heptyl]-9-methyl-3-aza-9-azoniabicyclo[3.3.1]nonane diiodide Formula: C37H58I2N4 MolecularWeight: 812.69216

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2CCCC1CN(C2)CC3=CC=CC=C3)CCCCCCC[N+]4(C5CCCC4CN(C5)CC6=CC=CC=C6)C.[I-].[I-]

Isomeric SMILES

C[N+]1(C2CCCC1CN(C2)CC3=CC=CC=C3)CCCCCCC[N+]4(C5CCCC4CN(C5)CC6=CC=CC=C6)C.[I-].[I-]

InChI

InChI=1S/C37H58N4.2HI/c1-40(34-20-14-21-35(40)29-38(28-34)26-32-16-8-6-9-17-32)24-12-4-3-5-13-25-41(2)36-22-15-23-37(41)31-39(30-36)27-33-18-10-7-11-19-33;;/h6-11,16-19,34-37H,3-5,12-15,20-31H2,1-2H3;2*1H/q+2;;/p-2