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

Systemtic Name: [(4R)-4-(1,3-benzodioxol-5-yl)-5-ethoxycarbonyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methyl-cyclohexyl-azanium Openeye Name: [(4R)-4-(1,3-benzodioxol-5-yl)-5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl-cyclohexyl-ammonium CAS Name: [(4R)-4-(1,3-benzodioxol-5-yl)-5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl-cyclohexylammonium IUPAC Name: [(4R)-4-(1,3-benzodioxol-5-yl)-5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl-cyclohexylazanium Traditional Name: [(4R)-4-(1,3-benzodioxol-5-yl)-5-carbethoxy-2-keto-3,4-dihydro-1H-pyrimidin-6-yl]methyl-cyclohexyl-ammonium Formula: C21H28N3O5+ MolecularWeight: 402.46412

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC3=C(C=C2)OCO3)C[NH2+]C4CCCCC4

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@@H]1C2=CC3=C(C=C2)OCO3)C[NH2+]C4CCCCC4

InChI

InChI=1S/C21H27N3O5/c1-2-27-20(25)18-15(11-22-14-6-4-3-5-7-14)23-21(26)24-19(18)13-8-9-16-17(10-13)29-12-28-16/h8-10,14,19,22H,2-7,11-12H2,1H3,(H2,23,24,26)/p+1/t19-/m1/s1