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

Systemtic Name: [(4S)-4-(2,5-dimethylphenyl)-5-ethoxycarbonyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methyl-di(propan-2-yl)azanium Openeye Name: [(4S)-4-(2,5-dimethylphenyl)-5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl-diisopropyl-ammonium CAS Name: [(4S)-4-(2,5-dimethylphenyl)-5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl-di(propan-2-yl)ammonium IUPAC Name: [(4S)-4-(2,5-dimethylphenyl)-5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl-di(propan-2-yl)azanium Traditional Name: [(4S)-5-carbethoxy-4-(2,5-dimethylphenyl)-2-keto-3,4-dihydro-1H-pyrimidin-6-yl]methyl-diisopropyl-ammonium Formula: C22H34N3O3+ MolecularWeight: 388.52366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33N3O3/c1-8-28-21(26)19-18(12-25(13(2)3)14(4)5)23-22(27)24-20(19)17-11-15(6)9-10-16(17)7/h9-11,13-14,20H,8,12H2,1-7H3,(H2,23,24,27)/p+1/t20-/m0/s1