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

Systemtic Name: trimethyl-[1-oxidanylidene-3-phenyl-1-[8-[4-(4-sulfamoylphenyl)carbonyloxyphenoxy]octoxy]propan-2-yl]azanium iodide Openeye Name: [1-benzyl-2-oxo-2-[8-[4-(4-sulfamoylbenzoyl)oxyphenoxy]octoxy]ethyl]-trimethyl-ammonium iodide CAS Name: trimethyl-[1-oxo-1-[8-[4-[oxo-(4-sulfamoylphenyl)methoxy]phenoxy]octoxy]-3-phenylpropan-2-yl]ammonium iodide IUPAC Name: trimethyl-[1-oxo-3-phenyl-1-[8-[4-(4-sulfamoylbenzoyl)oxyphenoxy]octoxy]propan-2-yl]azanium iodide Traditional Name: [1-benzyl-2-keto-2-[8-[4-(4-sulfamoylbenzoyl)oxyphenoxy]octoxy]ethyl]-trimethyl-ammonium iodide Formula: C33H43IN2O7S MolecularWeight: 738.67319

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C(CC1=CC=CC=C1)C(=O)OCCCCCCCCOC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)S(=O)(=O)N.[I-]

Isomeric SMILES

C[N+](C)(C)C(CC1=CC=CC=C1)C(=O)OCCCCCCCCOC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)S(=O)(=O)N.[I-]

InChI

InChI=1S/C33H43N2O7S.HI/c1-35(2,3)31(25-26-13-9-8-10-14-26)33(37)41-24-12-7-5-4-6-11-23-40-28-17-19-29(20-18-28)42-32(36)27-15-21-30(22-16-27)43(34,38)39;/h8-10,13-22,31H,4-7,11-12,23-25H2,1-3H3,(H2,34,38,39);1H/q+1;/p-1