[(E)-4-[[3-(4-bromophenyl)-1-benzofuran-6-yl]oxy]but-2-enyl]-methyl-prop-2-enyl-azanium

Systemtic Name: [(E)-4-[[3-(4-bromophenyl)-1-benzofuran-6-yl]oxy]but-2-enyl]-methyl-prop-2-enyl-azanium Openeye Name: allyl-[(E)-4-[3-(4-bromophenyl)benzofuran-6-yl]oxybut-2-enyl]-methyl-ammonium CAS Name: [(E)-4-[[3-(4-bromophenyl)-6-benzofuranyl]oxy]but-2-enyl]-methyl-prop-2-enylammonium IUPAC Name: [(E)-4-[[3-(4-bromophenyl)-1-benzofuran-6-yl]oxy]but-2-enyl]-methyl-prop-2-enylazanium Traditional Name: allyl-[(E)-4-[3-(4-bromophenyl)benzofuran-6-yl]oxybut-2-enyl]-methyl-ammonium Formula: C22H23BrNO2+ MolecularWeight: 413.32752

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC=C)CC=CCOC1=CC2=C(C=C1)C(=CO2)C3=CC=C(C=C3)Br

Isomeric SMILES

C[NH+](CC=C)C/C=C/COC1=CC2=C(C=C1)C(=CO2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H22BrNO2/c1-3-12-24(2)13-4-5-14-25-19-10-11-20-21(16-26-22(20)15-19)17-6-8-18(23)9-7-17/h3-11,15-16H,1,12-14H2,2H3/p+1/b5-4+