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

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl-methyl-[2-oxidanylidene-2-[[(2S)-3-oxidanylidene-1-phenyl-butan-2-yl]amino]ethyl]azanium Openeye Name: [2-[[(1S)-1-benzyl-2-oxo-propyl]amino]-2-oxo-ethyl]-[(3-fluoro-4-methoxy-phenyl)methyl]-methyl-ammonium CAS Name: (3-fluoro-4-methoxyphenyl)methyl-methyl-[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]ammonium IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl-methyl-[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]azanium Traditional Name: [2-[[(1S)-1-benzyl-2-keto-propyl]amino]-2-keto-ethyl]-(3-fluoro-4-methoxy-benzyl)-methyl-ammonium Formula: C21H26FN2O3+ MolecularWeight: 373.441143

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC1=CC=CC=C1)NC(=O)C[NH+](C)CC2=CC(=C(C=C2)OC)F

Isomeric SMILES

CC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C[NH+](C)CC2=CC(=C(C=C2)OC)F

InChI

InChI=1S/C21H25FN2O3/c1-15(25)19(12-16-7-5-4-6-8-16)23-21(26)14-24(2)13-17-9-10-20(27-3)18(22)11-17/h4-11,19H,12-14H2,1-3H3,(H,23,26)/p+1/t19-/m0/s1