2-(3,4-dimethoxyphenyl)ethyl-[(2R)-3-ethoxy-1,1,1-tris(fluoranyl)-3-oxidanylidene-2-(pyridin-3-ylcarbonylamino)propan-2-yl]azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[(2R)-3-ethoxy-1,1,1-tris(fluoranyl)-3-oxidanylidene-2-(pyridin-3-ylcarbonylamino)propan-2-yl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[(1R)-1-ethoxycarbonyl-2,2,2-trifluoro-1-(pyridine-3-carbonylamino)ethyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[(2R)-3-ethoxy-1,1,1-trifluoro-3-oxo-2-[[oxo(3-pyridinyl)methyl]amino]propan-2-yl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[(2R)-3-ethoxy-1,1,1-trifluoro-3-oxo-2-(pyridine-3-carbonylamino)propan-2-yl]azanium Traditional Name: [(1R)-1-carbethoxy-2,2,2-trifluoro-1-nicotinamido-ethyl]-homoveratryl-ammonium Formula: C21H25F3N3O5+ MolecularWeight: 456.43551

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(F)(F)F)([NH2+]CCC1=CC(=C(C=C1)OC)OC)NC(=O)C2=CN=CC=C2

Isomeric SMILES

CCOC(=O)[C@](C(F)(F)F)([NH2+]CCC1=CC(=C(C=C1)OC)OC)NC(=O)C2=CN=CC=C2

InChI

InChI=1S/C21H24F3N3O5/c1-4-32-19(29)20(21(22,23)24,27-18(28)15-6-5-10-25-13-15)26-11-9-14-7-8-16(30-2)17(12-14)31-3/h5-8,10,12-13,26H,4,9,11H2,1-3H3,(H,27,28)/p+1/t20-/m0/s1