(3-fluoranyl-4-methoxy-phenyl)methyl-[(1S)-2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-methyl-azanium

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl-[(1S)-2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-methyl-azanium Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl-[(1S)-2-(2-methoxy-5-methyl-anilino)-2-oxo-1-phenyl-ethyl]-methyl-ammonium CAS Name: (3-fluoro-4-methoxyphenyl)methyl-[(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl]-methylammonium IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl-[(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl]-methylazanium Traditional Name: (3-fluoro-4-methoxy-benzyl)-[(1S)-2-keto-2-(2-methoxy-5-methyl-anilino)-1-phenyl-ethyl]-methyl-ammonium Formula: C25H28FN2O3+ MolecularWeight: 423.499823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C(C2=CC=CC=C2)[NH+](C)CC3=CC(=C(C=C3)OC)F

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)[C@H](C2=CC=CC=C2)[NH+](C)CC3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C25H27FN2O3/c1-17-10-12-23(31-4)21(14-17)27-25(29)24(19-8-6-5-7-9-19)28(2)16-18-11-13-22(30-3)20(26)15-18/h5-15,24H,16H2,1-4H3,(H,27,29)/p+1/t24-/m0/s1