[(4S,5S)-5-[[bis[(4-methoxyphenyl)methyl]-methyl-azaniumyl]methyl]-2-tert-butyl-2-methyl-1,3-dioxolan-4-yl]methyl-bis[(4-methoxyphenyl)methyl]-methyl-azanium iodide

Systemtic Name: [(4S,5S)-5-[[bis[(4-methoxyphenyl)methyl]-methyl-azaniumyl]methyl]-2-tert-butyl-2-methyl-1,3-dioxolan-4-yl]methyl-bis[(4-methoxyphenyl)methyl]-methyl-azanium iodide Openeye Name: [(4S,5S)-5-[[bis[(4-methoxyphenyl)methyl]-methyl-ammonio]methyl]-2-tert-butyl-2-methyl-1,3-dioxolan-4-yl]methyl-bis[(4-methoxyphenyl)methyl]-methyl-ammonium iodide CAS Name: [(4S,5S)-5-[[bis[(4-methoxyphenyl)methyl]-methylammonio]methyl]-2-tert-butyl-2-methyl-1,3-dioxolan-4-yl]methyl-bis[(4-methoxyphenyl)methyl]-methylammonium iodide IUPAC Name: [(4S,5S)-5-[[bis[(4-methoxyphenyl)methyl]-methylazaniumyl]methyl]-2-tert-butyl-2-methyl-1,3-dioxolan-4-yl]methyl-bis[(4-methoxyphenyl)methyl]-methylazanium iodide Traditional Name: [(4S,5S)-2-tert-butyl-2-methyl-5-[[methyl-bis(p-anisyl)ammonio]methyl]-1,3-dioxolan-4-yl]methyl-methyl-bis(p-anisyl)ammonium iodide Formula: C44H60IN2O6+ MolecularWeight: 839.86147

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(C(O1)C[N+](C)(CC2=CC=C(C=C2)OC)CC3=CC=C(C=C3)OC)C[N+](C)(CC4=CC=C(C=C4)OC)CC5=CC=C(C=C5)OC)C(C)(C)C.[I-]

Isomeric SMILES

CC1(O[C@H]([C@@H](O1)C[N+](C)(CC2=CC=C(C=C2)OC)CC3=CC=C(C=C3)OC)C[N+](C)(CC4=CC=C(C=C4)OC)CC5=CC=C(C=C5)OC)C(C)(C)C.[I-]

InChI

InChI=1S/C44H60N2O6.HI/c1-43(2,3)44(4)51-41(31-45(5,27-33-11-19-37(47-7)20-12-33)28-34-13-21-38(48-8)22-14-34)42(52-44)32-46(6,29-35-15-23-39(49-9)24-16-35)30-36-17-25-40(50-10)26-18-36;/h11-26,41-42H,27-32H2,1-10H3;1H/q+2;/p-1/t41-,42-;/m0./s1