(4,5-dimethoxy-2-methyl-phenyl)methyl-[3-[(2-fluorophenyl)amino]-3-oxidanylidene-propyl]-methyl-azanium

Systemtic Name: (4,5-dimethoxy-2-methyl-phenyl)methyl-[3-[(2-fluorophenyl)amino]-3-oxidanylidene-propyl]-methyl-azanium Openeye Name: (4,5-dimethoxy-2-methyl-phenyl)methyl-[3-(2-fluoroanilino)-3-oxo-propyl]-methyl-ammonium CAS Name: (4,5-dimethoxy-2-methylphenyl)methyl-[3-(2-fluoroanilino)-3-oxopropyl]-methylammonium IUPAC Name: (4,5-dimethoxy-2-methylphenyl)methyl-[3-(2-fluoroanilino)-3-oxopropyl]-methylazanium Traditional Name: (4,5-dimethoxy-2-methyl-benzyl)-[3-(2-fluoroanilino)-3-keto-propyl]-methyl-ammonium Formula: C20H26FN2O3+ MolecularWeight: 361.430443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH+](C)CCC(=O)NC2=CC=CC=C2F)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1C[NH+](C)CCC(=O)NC2=CC=CC=C2F)OC)OC

InChI

InChI=1S/C20H25FN2O3/c1-14-11-18(25-3)19(26-4)12-15(14)13-23(2)10-9-20(24)22-17-8-6-5-7-16(17)21/h5-8,11-12H,9-10,13H2,1-4H3,(H,22,24)/p+1