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

Systemtic Name: (5-ethoxycarbonyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl)methyl-[(1S)-1-(4-fluorophenyl)-2-methyl-propyl]azanium Openeye Name: (5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl-[(1S)-1-(4-fluorophenyl)-2-methyl-propyl]ammonium CAS Name: (5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]ammonium IUPAC Name: (5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]azanium Traditional Name: (5-carbethoxy-2-keto-3,4-dihydro-1H-pyrimidin-6-yl)methyl-[(1S)-1-(4-fluorophenyl)-2-methyl-propyl]ammonium Formula: C18H25FN3O3+ MolecularWeight: 350.407803

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)C[NH2+]C(C2=CC=C(C=C2)F)C(C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)C[NH2+][C@H](C2=CC=C(C=C2)F)C(C)C

InChI

InChI=1S/C18H24FN3O3/c1-4-25-17(23)14-9-21-18(24)22-15(14)10-20-16(11(2)3)12-5-7-13(19)8-6-12/h5-8,11,16,20H,4,9-10H2,1-3H3,(H2,21,22,24)/p+1/t16-/m0/s1