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

Systemtic Name: cyclohexyl-[[(4R)-4-(2,5-dimethylphenyl)-5-ethoxycarbonyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methyl]azanium Openeye Name: cyclohexyl-[[(4R)-4-(2,5-dimethylphenyl)-5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]ammonium CAS Name: cyclohexyl-[[(4R)-4-(2,5-dimethylphenyl)-5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]ammonium IUPAC Name: cyclohexyl-[[(4R)-4-(2,5-dimethylphenyl)-5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]azanium Traditional Name: [(4R)-5-carbethoxy-4-(2,5-dimethylphenyl)-2-keto-3,4-dihydro-1H-pyrimidin-6-yl]methyl-cyclohexyl-ammonium Formula: C22H32N3O3+ MolecularWeight: 386.50778

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=C(C=CC(=C2)C)C)C[NH2+]C3CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@@H]1C2=C(C=CC(=C2)C)C)C[NH2+]C3CCCCC3

InChI

InChI=1S/C22H31N3O3/c1-4-28-21(26)19-18(13-23-16-8-6-5-7-9-16)24-22(27)25-20(19)17-12-14(2)10-11-15(17)3/h10-12,16,20,23H,4-9,13H2,1-3H3,(H2,24,25,27)/p+1/t20-/m1/s1