2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl-dimethyl-(phenylmethyl)azanium bromide

Systemtic Name: 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl-dimethyl-(phenylmethyl)azanium bromide Openeye Name: benzyl-[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl]-dimethyl-ammonium bromide CAS Name: 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl-dimethyl-(phenylmethyl)ammonium bromide IUPAC Name: benzyl-[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl]-dimethylazanium bromide Traditional Name: benzyl-[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl]-dimethyl-ammonium bromide Formula: C33H36BrNO MolecularWeight: 542.54904

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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)CC3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCC[N+](C)(C)CC3=CC=CC=C3)/C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C33H36NO.BrH/c1-4-32(28-16-10-6-11-17-28)33(29-18-12-7-13-19-29)30-20-22-31(23-21-30)35-25-24-34(2,3)26-27-14-8-5-9-15-27;/h5-23H,4,24-26H2,1-3H3;1H/q+1;/p-1/b33-32-;