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

Systemtic Name: [(4S,5S)-2-tert-butyl-2-methyl-5-[[methyl-bis[(4-methylphenyl)methyl]azaniumyl]methyl]-1,3-dioxolan-4-yl]methyl-methyl-bis[(4-methylphenyl)methyl]azanium iodide Openeye Name: [(4S,5S)-2-tert-butyl-2-methyl-5-[[methyl-bis(p-tolylmethyl)ammonio]methyl]-1,3-dioxolan-4-yl]methyl-methyl-bis(p-tolylmethyl)ammonium iodide CAS Name: [(4S,5S)-2-tert-butyl-2-methyl-5-[[methyl-bis[(4-methylphenyl)methyl]ammonio]methyl]-1,3-dioxolan-4-yl]methyl-methyl-bis[(4-methylphenyl)methyl]ammonium iodide IUPAC Name: [(4S,5S)-2-tert-butyl-2-methyl-5-[[methyl-bis[(4-methylphenyl)methyl]azaniumyl]methyl]-1,3-dioxolan-4-yl]methyl-methyl-bis[(4-methylphenyl)methyl]azanium iodide Traditional Name: [(4S,5S)-2-tert-butyl-2-methyl-5-[[methyl-bis(4-methylbenzyl)ammonio]methyl]-1,3-dioxolan-4-yl]methyl-methyl-bis(4-methylbenzyl)ammonium iodide Formula: C44H60IN2O2+ MolecularWeight: 775.86387

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[N+](C)(CC2C(OC(O2)(C)C(C)(C)C)C[N+](C)(CC3=CC=C(C=C3)C)CC4=CC=C(C=C4)C)CC5=CC=C(C=C5)C.[I-]

Isomeric SMILES

CC1=CC=C(C=C1)C[N+](C)(C[C@H]2[C@@H](OC(O2)(C)C(C)(C)C)C[N+](C)(CC3=CC=C(C=C3)C)CC4=CC=C(C=C4)C)CC5=CC=C(C=C5)C.[I-]

InChI

InChI=1S/C44H60N2O2.HI/c1-33-11-19-37(20-12-33)27-45(9,28-38-21-13-34(2)14-22-38)31-41-42(48-44(8,47-41)43(5,6)7)32-46(10,29-39-23-15-35(3)16-24-39)30-40-25-17-36(4)18-26-40;/h11-26,41-42H,27-32H2,1-10H3;1H/q+2;/p-1/t41-,42-;/m0./s1