(1-decylpyridin-1-ium-3-yl)-[4-(1-decylpyridin-1-ium-3-yl)carbonyl-2,5-dimethyl-piperazin-1-yl]methanone diiodide

Systemtic Name: (1-decylpyridin-1-ium-3-yl)-[4-(1-decylpyridin-1-ium-3-yl)carbonyl-2,5-dimethyl-piperazin-1-yl]methanone diiodide Openeye Name: [4-(1-decylpyridin-1-ium-3-carbonyl)-2,5-dimethyl-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]-2,5-dimethyl-1-piperazinyl]methanone diiodide IUPAC Name: [4-(1-decylpyridin-1-ium-3-carbonyl)-2,5-dimethylpiperazin-1-yl]-(1-decylpyridin-1-ium-3-yl)methanone diiodide Traditional Name: [4-(1-decylpyridin-1-ium-3-carbonyl)-2,5-dimethyl-piperazino]-(1-decylpyridin-1-ium-3-yl)methanone diiodide Formula: C38H62I2N4O2 MolecularWeight: 860.73342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC[N+]1=CC=CC(=C1)C(=O)N2CC(N(CC2C)C(=O)C3=C[N+](=CC=C3)CCCCCCCCCC)C.[I-].[I-]

Isomeric SMILES

CCCCCCCCCC[N+]1=CC=CC(=C1)C(=O)N2CC(N(CC2C)C(=O)C3=C[N+](=CC=C3)CCCCCCCCCC)C.[I-].[I-]

InChI

InChI=1S/C38H62N4O2.2HI/c1-5-7-9-11-13-15-17-19-25-39-27-21-23-35(31-39)37(43)41-29-34(4)42(30-33(41)3)38(44)36-24-22-28-40(32-36)26-20-18-16-14-12-10-8-6-2;;/h21-24,27-28,31-34H,5-20,25-26,29-30H2,1-4H3;2*1H/q+2;;/p-2