2-(1,4-dimethylpiperidin-1-ium-1-yl)-1-[4-[4-[2-(1,4-dimethylpiperidin-1-ium-1-yl)-1-oxidanyl-ethyl]phenyl]phenyl]ethanol diiodide

Systemtic Name: 2-(1,4-dimethylpiperidin-1-ium-1-yl)-1-[4-[4-[2-(1,4-dimethylpiperidin-1-ium-1-yl)-1-oxidanyl-ethyl]phenyl]phenyl]ethanol diiodide Openeye Name: 2-(1,4-dimethylpiperidin-1-ium-1-yl)-1-[4-[4-[2-(1,4-dimethylpiperidin-1-ium-1-yl)-1-hydroxy-ethyl]phenyl]phenyl]ethanol diiodide CAS Name: 2-(1,4-dimethyl-1-piperidin-1-iumyl)-1-[4-[4-[2-(1,4-dimethyl-1-piperidin-1-iumyl)-1-hydroxyethyl]phenyl]phenyl]ethanol diiodide IUPAC Name: 2-(1,4-dimethylpiperidin-1-ium-1-yl)-1-[4-[4-[2-(1,4-dimethylpiperidin-1-ium-1-yl)-1-hydroxyethyl]phenyl]phenyl]ethanol diiodide Traditional Name: 2-(1,4-dimethylpiperidin-1-ium-1-yl)-1-[4-[4-[2-(1,4-dimethylpiperidin-1-ium-1-yl)-1-hydroxy-ethyl]phenyl]phenyl]ethanol diiodide Formula: C30H46I2N2O2 MolecularWeight: 720.50738

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[N+](CC1)(C)CC(C2=CC=C(C=C2)C3=CC=C(C=C3)C(C[N+]4(CCC(CC4)C)C)O)O.[I-].[I-]

Isomeric SMILES

CC1CC[N+](CC1)(C)CC(C2=CC=C(C=C2)C3=CC=C(C=C3)C(C[N+]4(CCC(CC4)C)C)O)O.[I-].[I-]

InChI

InChI=1S/C30H46N2O2.2HI/c1-23-13-17-31(3,18-14-23)21-29(33)27-9-5-25(6-10-27)26-7-11-28(12-8-26)30(34)22-32(4)19-15-24(2)16-20-32;;/h5-12,23-24,29-30,33-34H,13-22H2,1-4H3;2*1H/q+2;;/p-2