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

Systemtic Name: cyclohexyl-[[(4R)-5-ethoxycarbonyl-4-(4-methoxyphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methyl]azanium Openeye Name: cyclohexyl-[[(4R)-5-ethoxycarbonyl-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]ammonium CAS Name: cyclohexyl-[[(4R)-5-ethoxycarbonyl-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]ammonium IUPAC Name: cyclohexyl-[[(4R)-5-ethoxycarbonyl-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]azanium Traditional Name: [(4R)-5-carbethoxy-2-keto-4-(4-methoxyphenyl)-3,4-dihydro-1H-pyrimidin-6-yl]methyl-cyclohexyl-ammonium Formula: C21H30N3O4+ MolecularWeight: 388.4806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O4/c1-3-28-20(25)18-17(13-22-15-7-5-4-6-8-15)23-21(26)24-19(18)14-9-11-16(27-2)12-10-14/h9-12,15,19,22H,3-8,13H2,1-2H3,(H2,23,24,26)/p+1/t19-/m1/s1