(1-decylpyridin-1-ium-3-yl)-[4-[1-(1-decylpyridin-1-ium-3-yl)carbonylpiperidin-4-yl]piperidin-1-yl]methanone diiodide

Systemtic Name: (1-decylpyridin-1-ium-3-yl)-[4-[1-(1-decylpyridin-1-ium-3-yl)carbonylpiperidin-4-yl]piperidin-1-yl]methanone diiodide Openeye Name: [4-[1-(1-decylpyridin-1-ium-3-carbonyl)-4-piperidyl]-1-piperidyl]-(1-decylpyridin-1-ium-3-yl)methanone diiodide CAS Name: (1-decyl-3-pyridin-1-iumyl)-[4-[1-[(1-decyl-3-pyridin-1-iumyl)-oxomethyl]-4-piperidinyl]-1-piperidinyl]methanone diiodide IUPAC Name: [4-[1-(1-decylpyridin-1-ium-3-carbonyl)piperidin-4-yl]piperidin-1-yl]-(1-decylpyridin-1-ium-3-yl)methanone diiodide Traditional Name: [4-[1-(1-decylpyridin-1-ium-3-carbonyl)-4-piperidyl]piperidino]-(1-decylpyridin-1-ium-3-yl)methanone diiodide Formula: C42H68I2N4O2 MolecularWeight: 914.82386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC[N+]1=CC=CC(=C1)C(=O)N2CCC(CC2)C3CCN(CC3)C(=O)C4=C[N+](=CC=C4)CCCCCCCCCC.[I-].[I-]

Isomeric SMILES

CCCCCCCCCC[N+]1=CC=CC(=C1)C(=O)N2CCC(CC2)C3CCN(CC3)C(=O)C4=C[N+](=CC=C4)CCCCCCCCCC.[I-].[I-]

InChI

InChI=1S/C42H68N4O2.2HI/c1-3-5-7-9-11-13-15-17-27-43-29-19-21-39(35-43)41(47)45-31-23-37(24-32-45)38-25-33-46(34-26-38)42(48)40-22-20-30-44(36-40)28-18-16-14-12-10-8-6-4-2;;/h19-22,29-30,35-38H,3-18,23-28,31-34H2,1-2H3;2*1H/q+2;;/p-2