6-[4-(4-bromophenyl)carbonyl-3-fluoranyl-phenoxy]hexyl-methyl-prop-2-enyl-azanium

Systemtic Name: 6-[4-(4-bromophenyl)carbonyl-3-fluoranyl-phenoxy]hexyl-methyl-prop-2-enyl-azanium Openeye Name: allyl-[6-[4-(4-bromobenzoyl)-3-fluoro-phenoxy]hexyl]-methyl-ammonium CAS Name: 6-[4-[(4-bromophenyl)-oxomethyl]-3-fluorophenoxy]hexyl-methyl-prop-2-enylammonium IUPAC Name: 6-[4-(4-bromobenzoyl)-3-fluorophenoxy]hexyl-methyl-prop-2-enylazanium Traditional Name: allyl-[6-[4-(4-bromobenzoyl)-3-fluoro-phenoxy]hexyl]-methyl-ammonium Formula: C23H28BrFNO2+ MolecularWeight: 449.376323

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCCCCOC1=CC(=C(C=C1)C(=O)C2=CC=C(C=C2)Br)F)CC=C

Isomeric SMILES

C[NH+](CCCCCCOC1=CC(=C(C=C1)C(=O)C2=CC=C(C=C2)Br)F)CC=C

InChI

InChI=1S/C23H27BrFNO2/c1-3-14-26(2)15-6-4-5-7-16-28-20-12-13-21(22(25)17-20)23(27)18-8-10-19(24)11-9-18/h3,8-13,17H,1,4-7,14-16H2,2H3/p+1