(3-fluoranyl-4-methoxy-phenyl)methyl-methyl-[2-oxidanylidene-2-[(4-propan-2-yloxycarbonylphenyl)amino]ethyl]azanium

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl-methyl-[2-oxidanylidene-2-[(4-propan-2-yloxycarbonylphenyl)amino]ethyl]azanium Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl-[2-(4-isopropoxycarbonylanilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: (3-fluoro-4-methoxyphenyl)methyl-methyl-[2-oxo-2-[4-[oxo(propan-2-yloxy)methyl]anilino]ethyl]ammonium IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl-methyl-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium Traditional Name: (3-fluoro-4-methoxy-benzyl)-[2-(4-isopropoxycarbonylanilino)-2-keto-ethyl]-methyl-ammonium Formula: C21H26FN2O4+ MolecularWeight: 389.440543

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)C[NH+](C)CC2=CC(=C(C=C2)OC)F

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)C[NH+](C)CC2=CC(=C(C=C2)OC)F

InChI

InChI=1S/C21H25FN2O4/c1-14(2)28-21(26)16-6-8-17(9-7-16)23-20(25)13-24(3)12-15-5-10-19(27-4)18(22)11-15/h5-11,14H,12-13H2,1-4H3,(H,23,25)/p+1