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

Systemtic Name: 9-methyl-9-[9-[9-methyl-3-(phenylmethyl)-3-aza-9-azoniabicyclo[3.3.1]nonan-9-yl]nonyl]-3-(phenylmethyl)-3-aza-9-azoniabicyclo[3.3.1]nonane diiodide Openeye Name: 3-benzyl-9-[9-(3-benzyl-9-methyl-3-aza-9-azoniabicyclo[3.3.1]nonan-9-yl)nonyl]-9-methyl-3-aza-9-azoniabicyclo[3.3.1]nonane diiodide CAS Name: 9-methyl-9-[9-[9-methyl-3-(phenylmethyl)-3-aza-9-azoniabicyclo[3.3.1]nonan-9-yl]nonyl]-3-(phenylmethyl)-3-aza-9-azoniabicyclo[3.3.1]nonane diiodide IUPAC Name: 3-benzyl-9-[9-(3-benzyl-9-methyl-3-aza-9-azoniabicyclo[3.3.1]nonan-9-yl)nonyl]-9-methyl-3-aza-9-azoniabicyclo[3.3.1]nonane diiodide Traditional Name: 3-benzyl-9-[9-(3-benzyl-9-methyl-3-aza-9-azoniabicyclo[3.3.1]nonan-9-yl)nonyl]-9-methyl-3-aza-9-azoniabicyclo[3.3.1]nonane diiodide Formula: C39H62I2N4 MolecularWeight: 840.74532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C39H62N4.2HI/c1-42(36-22-16-23-37(42)31-40(30-36)28-34-18-10-8-11-19-34)26-14-6-4-3-5-7-15-27-43(2)38-24-17-25-39(43)33-41(32-38)29-35-20-12-9-13-21-35;;/h8-13,18-21,36-39H,3-7,14-17,22-33H2,1-2H3;2*1H/q+2;;/p-2