2-[(2E,4E)-2,5-diphenylpenta-2,4-dienoyl]oxyethyl-diethyl-(phenylmethyl)azanium bromide

Systemtic Name: 2-[(2E,4E)-2,5-diphenylpenta-2,4-dienoyl]oxyethyl-diethyl-(phenylmethyl)azanium bromide Openeye Name: benzyl-[2-[(2E,4E)-2,5-diphenylpenta-2,4-dienoyl]oxyethyl]-diethyl-ammonium bromide CAS Name: diethyl-[2-[(2E,4E)-1-oxo-2,5-diphenylpenta-2,4-dienoxy]ethyl]-(phenylmethyl)ammonium bromide IUPAC Name: benzyl-[2-[(2E,4E)-2,5-diphenylpenta-2,4-dienoyl]oxyethyl]-diethylazanium bromide Traditional Name: benzyl-[2-[(2E,4E)-2,5-diphenylpenta-2,4-dienoyl]oxyethyl]-diethyl-ammonium bromide Formula: C30H34BrNO2 MolecularWeight: 520.50046

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CCOC(=O)C(=CC=CC1=CC=CC=C1)C2=CC=CC=C2)CC3=CC=CC=C3.[Br-]

Isomeric SMILES

CC[N+](CC)(CCOC(=O)/C(=C/C=C/C1=CC=CC=C1)/C2=CC=CC=C2)CC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C30H34NO2.BrH/c1-3-31(4-2,25-27-17-10-6-11-18-27)23-24-33-30(32)29(28-20-12-7-13-21-28)22-14-19-26-15-8-5-9-16-26;/h5-22H,3-4,23-25H2,1-2H3;1H/q+1;/p-1/b19-14+,29-22+;