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

Systemtic Name: cyclohexyl-[[(4S)-4-(3,4-dimethoxyphenyl)-5-methoxycarbonyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methyl]azanium Openeye Name: cyclohexyl-[[(4S)-4-(3,4-dimethoxyphenyl)-5-methoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]ammonium CAS Name: cyclohexyl-[[(4S)-4-(3,4-dimethoxyphenyl)-5-methoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]ammonium IUPAC Name: cyclohexyl-[[(4S)-4-(3,4-dimethoxyphenyl)-5-methoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]azanium Traditional Name: [(4S)-5-carbomethoxy-4-(3,4-dimethoxyphenyl)-2-keto-3,4-dihydro-1H-pyrimidin-6-yl]methyl-cyclohexyl-ammonium Formula: C21H30N3O5+ MolecularWeight: 404.48

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O5/c1-27-16-10-9-13(11-17(16)28-2)19-18(20(25)29-3)15(23-21(26)24-19)12-22-14-7-5-4-6-8-14/h9-11,14,19,22H,4-8,12H2,1-3H3,(H2,23,24,26)/p+1/t19-/m0/s1