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

Systemtic Name: tert-butyl-[[(4S)-5-ethoxycarbonyl-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidin-6-yl]methyl]azanium Openeye Name: tert-butyl-[[(4S)-5-ethoxycarbonyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidin-6-yl]methyl]ammonium CAS Name: tert-butyl-[[(4S)-5-ethoxycarbonyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidin-6-yl]methyl]ammonium IUPAC Name: tert-butyl-[[(4S)-5-ethoxycarbonyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidin-6-yl]methyl]azanium Traditional Name: tert-butyl-[[(4S)-5-carbethoxy-2-keto-4-phenyl-3,4-dihydro-1H-pyrimidin-6-yl]methyl]ammonium Formula: C18H26N3O3+ MolecularWeight: 332.41734

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)C[NH2+]C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C2=CC=CC=C2)C[NH2+]C(C)(C)C

InChI

InChI=1S/C18H25N3O3/c1-5-24-16(22)14-13(11-19-18(2,3)4)20-17(23)21-15(14)12-9-7-6-8-10-12/h6-10,15,19H,5,11H2,1-4H3,(H2,20,21,23)/p+1/t15-/m0/s1