(E)-4-[[3-(4-bromophenyl)-5-fluoranyl-1-methyl-3H-indazol-1-ium-6-yl]oxy]-N-methyl-N-prop-2-enyl-but-2-en-1-amine

Systemtic Name: (E)-4-[[3-(4-bromophenyl)-5-fluoranyl-1-methyl-3H-indazol-1-ium-6-yl]oxy]-N-methyl-N-prop-2-enyl-but-2-en-1-amine Openeye Name: (E)-N-allyl-4-[[3-(4-bromophenyl)-5-fluoro-1-methyl-3H-indazol-1-ium-6-yl]oxy]-N-methyl-but-2-en-1-amine CAS Name: (E)-4-[[3-(4-bromophenyl)-5-fluoro-1-methyl-3H-indazol-1-ium-6-yl]oxy]-N-methyl-N-prop-2-enyl-2-buten-1-amine IUPAC Name: (E)-4-[[3-(4-bromophenyl)-5-fluoro-1-methyl-3H-indazol-1-ium-6-yl]oxy]-N-methyl-N-prop-2-enylbut-2-en-1-amine Traditional Name: allyl-[(E)-4-[[3-(4-bromophenyl)-5-fluoro-1-methyl-3H-indazol-1-ium-6-yl]oxy]but-2-enyl]-methyl-amine Formula: C22H24BrFN3O+ MolecularWeight: 445.347863

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=NC(C2=CC(=C(C=C21)OCC=CCN(C)CC=C)F)C3=CC=C(C=C3)Br

Isomeric SMILES

C[N+]1=NC(C2=CC(=C(C=C21)OC/C=C/CN(C)CC=C)F)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H24BrFN3O/c1-4-11-26(2)12-5-6-13-28-21-15-20-18(14-19(21)24)22(25-27(20)3)16-7-9-17(23)10-8-16/h4-10,14-15,22H,1,11-13H2,2-3H3/q+1/b6-5+