trimethyl-[1-oxidanylidene-3-phenyl-1-[8-[4-(4-propan-2-yloxyphenyl)carbonyloxyphenoxy]octoxy]propan-2-yl]azanium iodide

Systemtic Name: trimethyl-[1-oxidanylidene-3-phenyl-1-[8-[4-(4-propan-2-yloxyphenyl)carbonyloxyphenoxy]octoxy]propan-2-yl]azanium iodide Openeye Name: [1-benzyl-2-[8-[4-(4-isopropoxybenzoyl)oxyphenoxy]octoxy]-2-oxo-ethyl]-trimethyl-ammonium iodide CAS Name: trimethyl-[1-oxo-1-[8-[4-[oxo-(4-propan-2-yloxyphenyl)methoxy]phenoxy]octoxy]-3-phenylpropan-2-yl]ammonium iodide IUPAC Name: trimethyl-[1-oxo-3-phenyl-1-[8-[4-(4-propan-2-yloxybenzoyl)oxyphenoxy]octoxy]propan-2-yl]azanium iodide Traditional Name: [1-benzyl-2-[8-[4-(4-isopropoxybenzoyl)oxyphenoxy]octoxy]-2-keto-ethyl]-trimethyl-ammonium iodide Formula: C36H48INO6 MolecularWeight: 717.67389

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)OCCCCCCCCOC(=O)C(CC3=CC=CC=C3)[N+](C)(C)C.[I-]

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)OCCCCCCCCOC(=O)C(CC3=CC=CC=C3)[N+](C)(C)C.[I-]

InChI

InChI=1S/C36H48NO6.HI/c1-28(2)42-32-19-17-30(18-20-32)35(38)43-33-23-21-31(22-24-33)40-25-13-8-6-7-9-14-26-41-36(39)34(37(3,4)5)27-29-15-11-10-12-16-29;/h10-12,15-24,28,34H,6-9,13-14,25-27H2,1-5H3;1H/q+1;/p-1