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

Systemtic Name: cyclohexyl-[[(4S)-5-methoxycarbonyl-4-(3-methoxyphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methyl]azanium Openeye Name: cyclohexyl-[[(4S)-5-methoxycarbonyl-4-(3-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]ammonium CAS Name: cyclohexyl-[[(4S)-5-methoxycarbonyl-4-(3-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]ammonium IUPAC Name: cyclohexyl-[[(4S)-5-methoxycarbonyl-4-(3-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]azanium Traditional Name: [(4S)-5-carbomethoxy-2-keto-4-(3-methoxyphenyl)-3,4-dihydro-1H-pyrimidin-6-yl]methyl-cyclohexyl-ammonium Formula: C20H28N3O4+ MolecularWeight: 374.45402

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2C(=C(NC(=O)N2)C[NH2+]C3CCCCC3)C(=O)OC

Isomeric SMILES

COC1=CC=CC(=C1)[C@H]2C(=C(NC(=O)N2)C[NH2+]C3CCCCC3)C(=O)OC

InChI

InChI=1S/C20H27N3O4/c1-26-15-10-6-7-13(11-15)18-17(19(24)27-2)16(22-20(25)23-18)12-21-14-8-4-3-5-9-14/h6-7,10-11,14,18,21H,3-5,8-9,12H2,1-2H3,(H2,22,23,25)/p+1/t18-/m0/s1