2-[4-[(E)-1,2-diphenylbut-1-enyl]phenoxy]ethyl-trimethyl-azanium iodide

Systemtic Name: 2-[4-[(E)-1,2-diphenylbut-1-enyl]phenoxy]ethyl-trimethyl-azanium iodide Openeye Name: 2-[4-[(E)-1,2-diphenylbut-1-enyl]phenoxy]ethyl-trimethyl-ammonium iodide CAS Name: 2-[4-[(E)-1,2-diphenylbut-1-enyl]phenoxy]ethyl-trimethylammonium iodide IUPAC Name: 2-[4-[(E)-1,2-diphenylbut-1-enyl]phenoxy]ethyl-trimethylazanium iodide Traditional Name: 2-[4-[(E)-1,2-diphenylbut-1-enyl]phenoxy]ethyl-trimethyl-ammonium iodide Formula: C27H32INO MolecularWeight: 513.45355

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC/C(=C(/C1=CC=CC=C1)\C2=CC=C(C=C2)OCC[N+](C)(C)C)/C3=CC=CC=C3.[I-]

InChI

InChI=1S/C27H32NO.HI/c1-5-26(22-12-8-6-9-13-22)27(23-14-10-7-11-15-23)24-16-18-25(19-17-24)29-21-20-28(2,3)4;/h6-19H,5,20-21H2,1-4H3;1H/q+1;/p-1/b27-26+;