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

Systemtic Name: cyclohexyl-[[(4S)-5-methoxycarbonyl-4-(4-methylphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methyl]azanium Openeye Name: cyclohexyl-[[(4S)-5-methoxycarbonyl-2-oxo-4-(p-tolyl)-3,4-dihydro-1H-pyrimidin-6-yl]methyl]ammonium CAS Name: cyclohexyl-[[(4S)-5-methoxycarbonyl-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]ammonium IUPAC Name: cyclohexyl-[[(4S)-5-methoxycarbonyl-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]azanium Traditional Name: [(4S)-5-carbomethoxy-2-keto-4-(p-tolyl)-3,4-dihydro-1H-pyrimidin-6-yl]methyl-cyclohexyl-ammonium Formula: C20H28N3O3+ MolecularWeight: 358.45462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(=C(NC(=O)N2)C[NH2+]C3CCCCC3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)[C@H]2C(=C(NC(=O)N2)C[NH2+]C3CCCCC3)C(=O)OC

InChI

InChI=1S/C20H27N3O3/c1-13-8-10-14(11-9-13)18-17(19(24)26-2)16(22-20(25)23-18)12-21-15-6-4-3-5-7-15/h8-11,15,18,21H,3-7,12H2,1-2H3,(H2,22,23,25)/p+1/t18-/m0/s1