(4-ethoxy-3-methoxy-phenyl)methyl-[(2R)-1-[(4-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium

Systemtic Name: (4-ethoxy-3-methoxy-phenyl)methyl-[(2R)-1-[(4-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: (4-ethoxy-3-methoxy-phenyl)methyl-[(1R)-2-(4-fluoroanilino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: (4-ethoxy-3-methoxyphenyl)methyl-[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl]-methylammonium IUPAC Name: (4-ethoxy-3-methoxyphenyl)methyl-[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl]-methylazanium Traditional Name: (4-ethoxy-3-methoxy-benzyl)-[(1R)-2-(4-fluoroanilino)-2-keto-1-methyl-ethyl]-methyl-ammonium Formula: C20H26FN2O3+ MolecularWeight: 361.430443

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C[NH+](C)C(C)C(=O)NC2=CC=C(C=C2)F)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C[NH+](C)[C@H](C)C(=O)NC2=CC=C(C=C2)F)OC

InChI

InChI=1S/C20H25FN2O3/c1-5-26-18-11-6-15(12-19(18)25-4)13-23(3)14(2)20(24)22-17-9-7-16(21)8-10-17/h6-12,14H,5,13H2,1-4H3,(H,22,24)/p+1/t14-/m1/s1