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

Systemtic Name: [(4R)-4-(4-chlorophenyl)-5-ethoxycarbonyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methyl-cyclohexyl-azanium Openeye Name: [(4R)-4-(4-chlorophenyl)-5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl-cyclohexyl-ammonium CAS Name: [(4R)-4-(4-chlorophenyl)-5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl-cyclohexylammonium IUPAC Name: [(4R)-4-(4-chlorophenyl)-5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl-cyclohexylazanium Traditional Name: [(4R)-5-carbethoxy-4-(4-chlorophenyl)-2-keto-3,4-dihydro-1H-pyrimidin-6-yl]methyl-cyclohexyl-ammonium Formula: C20H27ClN3O3+ MolecularWeight: 392.89968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26ClN3O3/c1-2-27-19(25)17-16(12-22-15-6-4-3-5-7-15)23-20(26)24-18(17)13-8-10-14(21)11-9-13/h8-11,15,18,22H,2-7,12H2,1H3,(H2,23,24,26)/p+1/t18-/m1/s1