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

Systemtic Name: [(4S)-5-ethoxycarbonyl-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidin-6-yl]methyl-(2-methylbutan-2-yl)azanium Openeye Name: 1,1-dimethylpropyl-[[(4S)-5-ethoxycarbonyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidin-6-yl]methyl]ammonium CAS Name: [(4S)-5-ethoxycarbonyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidin-6-yl]methyl-(2-methylbutan-2-yl)ammonium IUPAC Name: [(4S)-5-ethoxycarbonyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidin-6-yl]methyl-(2-methylbutan-2-yl)azanium Traditional Name: tert-amyl-[[(4S)-5-carbethoxy-2-keto-4-phenyl-3,4-dihydro-1H-pyrimidin-6-yl]methyl]ammonium Formula: C19H28N3O3+ MolecularWeight: 346.44392

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)[NH2+]CC1=C(C(NC(=O)N1)C2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCC(C)(C)[NH2+]CC1=C([C@@H](NC(=O)N1)C2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C19H27N3O3/c1-5-19(3,4)20-12-14-15(17(23)25-6-2)16(22-18(24)21-14)13-10-8-7-9-11-13/h7-11,16,20H,5-6,12H2,1-4H3,(H2,21,22,24)/p+1/t16-/m0/s1