2-[4-[1,2-bis(iodanyl)-1,2-diphenyl-butyl]phenoxy]ethyl-trimethyl-azanium

Systemtic Name: 2-[4-[1,2-bis(iodanyl)-1,2-diphenyl-butyl]phenoxy]ethyl-trimethyl-azanium Openeye Name: 2-[4-(1,2-diiodo-1,2-diphenyl-butyl)phenoxy]ethyl-trimethyl-ammonium CAS Name: 2-[4-(1,2-diiodo-1,2-diphenylbutyl)phenoxy]ethyl-trimethylammonium IUPAC Name: 2-[4-(1,2-diiodo-1,2-diphenylbutyl)phenoxy]ethyl-trimethylazanium Traditional Name: 2-[4-(1,2-diiodo-1,2-diphenyl-butyl)phenoxy]ethyl-trimethyl-ammonium Formula: C27H32I2NO+ MolecularWeight: 640.35802

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)(C(C2=CC=CC=C2)(C3=CC=C(C=C3)OCC[N+](C)(C)C)I)I

Isomeric SMILES

CCC(C1=CC=CC=C1)(C(C2=CC=CC=C2)(C3=CC=C(C=C3)OCC[N+](C)(C)C)I)I

InChI

InChI=1S/C27H32I2NO/c1-5-26(28,22-12-8-6-9-13-22)27(29,23-14-10-7-11-15-23)24-16-18-25(19-17-24)31-21-20-30(2,3)4/h6-19H,5,20-21H2,1-4H3/q+1