2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[2-[(3-fluoranyl-4-methyl-phenyl)methylamino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[2-[(3-fluoranyl-4-methyl-phenyl)methylamino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[2-[(3-fluoro-4-methyl-phenyl)methylamino]-2-oxo-ethyl]-methyl-ammonium CAS Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]-methylammonium IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]-methylazanium Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[2-[(3-fluoro-4-methyl-benzyl)amino]-2-keto-ethyl]-methyl-ammonium Formula: C20H24FN2O3+ MolecularWeight: 359.414563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC(=O)C[NH+](C)CC2=CC3=C(C=C2)OCCO3)F

Isomeric SMILES

CC1=C(C=C(C=C1)CNC(=O)C[NH+](C)CC2=CC3=C(C=C2)OCCO3)F

InChI

InChI=1S/C20H23FN2O3/c1-14-3-4-15(9-17(14)21)11-22-20(24)13-23(2)12-16-5-6-18-19(10-16)26-8-7-25-18/h3-6,9-10H,7-8,11-13H2,1-2H3,(H,22,24)/p+1