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

Systemtic Name: 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl-dimethyl-(naphthalen-2-ylmethyl)azanium bromide Openeye Name: 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl-dimethyl-(2-naphthylmethyl)ammonium bromide CAS Name: 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl-dimethyl-(2-naphthalenylmethyl)ammonium bromide IUPAC Name: 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl-dimethyl-(naphthalen-2-ylmethyl)azanium bromide Traditional Name: 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl-dimethyl-(2-naphthylmethyl)ammonium bromide Formula: C37H38BrNO MolecularWeight: 592.60772

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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=CC4=CC=CC=C4C=C3)C5=CC=CC=C5.[Br-]

Isomeric SMILES

CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCC[N+](C)(C)CC3=CC4=CC=CC=C4C=C3)/C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C37H38NO.BrH/c1-4-36(31-14-7-5-8-15-31)37(32-16-9-6-10-17-32)33-21-23-35(24-22-33)39-26-25-38(2,3)28-29-19-20-30-13-11-12-18-34(30)27-29;/h5-24,27H,4,25-26,28H2,1-3H3;1H/q+1;/p-1/b37-36-;