cyclopropyl-[[(4S)-5-ethoxycarbonyl-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-[(2-fluorophenyl)methyl]azanium

Systemtic Name: cyclopropyl-[[(4S)-5-ethoxycarbonyl-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-[(2-fluorophenyl)methyl]azanium Openeye Name: cyclopropyl-[[(4S)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-[(2-fluorophenyl)methyl]ammonium CAS Name: cyclopropyl-[[(4S)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-[(2-fluorophenyl)methyl]ammonium IUPAC Name: cyclopropyl-[[(4S)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-[(2-fluorophenyl)methyl]azanium Traditional Name: [(4S)-5-carbethoxy-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidin-6-yl]methyl-cyclopropyl-(2-fluorobenzyl)ammonium Formula: C20H27FN3O3+ MolecularWeight: 376.445083

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)C[NH+](CC2=CC=CC=C2F)C3CC3)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)C[NH+](CC2=CC=CC=C2F)C3CC3)C(=O)OCC

InChI

InChI=1S/C20H26FN3O3/c1-3-16-18(19(25)27-4-2)17(23-20(26)22-16)12-24(14-9-10-14)11-13-7-5-6-8-15(13)21/h5-8,14,16H,3-4,9-12H2,1-2H3,(H2,22,23,26)/p+1/t16-/m0/s1