2-[[(E)-3-(3-fluoranyl-4-methoxy-phenyl)prop-2-enoyl]amino]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[[(E)-3-(3-fluoranyl-4-methoxy-phenyl)prop-2-enoyl]amino]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[[(E)-3-(3-fluoro-4-methoxy-phenyl)prop-2-enoyl]amino]ethyl-diisopropyl-ammonium CAS Name: 2-[[(E)-3-(3-fluoro-4-methoxyphenyl)-1-oxoprop-2-enyl]amino]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]amino]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[[(E)-3-(3-fluoro-4-methoxy-phenyl)acryloyl]amino]ethyl-diisopropyl-ammonium Formula: C18H28FN2O2+ MolecularWeight: 323.425523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27FN2O2/c1-13(2)21(14(3)4)11-10-20-18(22)9-7-15-6-8-17(23-5)16(19)12-15/h6-9,12-14H,10-11H2,1-5H3,(H,20,22)/p+1/b9-7+