2-(3,4-dimethoxyphenyl)ethyl-[2-[(2-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[2-[(2-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[2-(2-fluoro-4-methyl-anilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methylammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methylazanium Traditional Name: [2-(2-fluoro-4-methyl-anilino)-2-keto-ethyl]-homoveratryl-methyl-ammonium Formula: C20H26FN2O3+ MolecularWeight: 361.430443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C[NH+](C)CCC2=CC(=C(C=C2)OC)OC)F

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C[NH+](C)CCC2=CC(=C(C=C2)OC)OC)F

InChI

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