(1-decylpyridin-1-ium-3-yl)-[4-(1-decylpyridin-1-ium-3-yl)carbonyl-3-methyl-piperazin-1-yl]methanone diiodide

Systemtic Name: (1-decylpyridin-1-ium-3-yl)-[4-(1-decylpyridin-1-ium-3-yl)carbonyl-3-methyl-piperazin-1-yl]methanone diiodide Openeye Name: [4-(1-decylpyridin-1-ium-3-carbonyl)-3-methyl-piperazin-1-yl]-(1-decylpyridin-1-ium-3-yl)methanone diiodide CAS Name: (1-decyl-3-pyridin-1-iumyl)-[4-[(1-decyl-3-pyridin-1-iumyl)-oxomethyl]-3-methyl-1-piperazinyl]methanone diiodide IUPAC Name: [4-(1-decylpyridin-1-ium-3-carbonyl)-3-methylpiperazin-1-yl]-(1-decylpyridin-1-ium-3-yl)methanone diiodide Traditional Name: [4-(1-decylpyridin-1-ium-3-carbonyl)-3-methyl-piperazino]-(1-decylpyridin-1-ium-3-yl)methanone diiodide Formula: C37H60I2N4O2 MolecularWeight: 846.70684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC[N+]1=CC=CC(=C1)C(=O)N2CCN(C(C2)C)C(=O)C3=C[N+](=CC=C3)CCCCCCCCCC.[I-].[I-]

Isomeric SMILES

CCCCCCCCCC[N+]1=CC=CC(=C1)C(=O)N2CCN(C(C2)C)C(=O)C3=C[N+](=CC=C3)CCCCCCCCCC.[I-].[I-]

InChI

InChI=1S/C37H60N4O2.2HI/c1-4-6-8-10-12-14-16-18-24-38-26-20-22-34(31-38)36(42)40-28-29-41(33(3)30-40)37(43)35-23-21-27-39(32-35)25-19-17-15-13-11-9-7-5-2;;/h20-23,26-27,31-33H,4-19,24-25,28-30H2,1-3H3;2*1H/q+2;;/p-2