2-[[(E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoyl]amino]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[[(E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoyl]amino]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[[(E)-3-(5-bromo-2-fluoro-phenyl)prop-2-enoyl]amino]ethyl-diisopropyl-ammonium CAS Name: 2-[[(E)-3-(5-bromo-2-fluorophenyl)-1-oxoprop-2-enyl]amino]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[[(E)-3-(5-bromo-2-fluorophenyl)prop-2-enoyl]amino]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[[(E)-3-(5-bromo-2-fluoro-phenyl)acryloyl]amino]ethyl-diisopropyl-ammonium Formula: C17H25BrFN2O+ MolecularWeight: 372.295603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCNC(=O)C=CC1=C(C=CC(=C1)Br)F)C(C)C

Isomeric SMILES

CC(C)[NH+](CCNC(=O)/C=C/C1=C(C=CC(=C1)Br)F)C(C)C

InChI

InChI=1S/C17H24BrFN2O/c1-12(2)21(13(3)4)10-9-20-17(22)8-5-14-11-15(18)6-7-16(14)19/h5-8,11-13H,9-10H2,1-4H3,(H,20,22)/p+1/b8-5+