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

Systemtic Name: butyl-[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl]-dimethyl-azanium bromide Openeye Name: butyl-[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl]-dimethyl-ammonium bromide CAS Name: butyl-[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl]-dimethylammonium bromide IUPAC Name: butyl-[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl]-dimethylazanium bromide Traditional Name: butyl-[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl]-dimethyl-ammonium bromide Formula: C30H38BrNO MolecularWeight: 508.53282

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](C)(C)CCOC1=CC=C(C=C1)C(=C(CC)C2=CC=CC=C2)C3=CC=CC=C3.[Br-]

Isomeric SMILES

CCCC[N+](C)(C)CCOC1=CC=C(C=C1)/C(=C(/CC)\C2=CC=CC=C2)/C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C30H38NO.BrH/c1-5-7-22-31(3,4)23-24-32-28-20-18-27(19-21-28)30(26-16-12-9-13-17-26)29(6-2)25-14-10-8-11-15-25;/h8-21H,5-7,22-24H2,1-4H3;1H/q+1;/p-1/b30-29-;