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

Systemtic Name: [(4R)-5-ethoxycarbonyl-4-(4-methoxyphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methyl-[(4-methylphenyl)methyl]azanium Openeye Name: [(4R)-5-ethoxycarbonyl-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl-(p-tolylmethyl)ammonium CAS Name: [(4R)-5-ethoxycarbonyl-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl-[(4-methylphenyl)methyl]ammonium IUPAC Name: [(4R)-5-ethoxycarbonyl-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl-[(4-methylphenyl)methyl]azanium Traditional Name: [(4R)-5-carbethoxy-2-keto-4-(4-methoxyphenyl)-3,4-dihydro-1H-pyrimidin-6-yl]methyl-(4-methylbenzyl)ammonium Formula: C23H28N3O4+ MolecularWeight: 410.48612

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)OC)C[NH2+]CC3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@@H]1C2=CC=C(C=C2)OC)C[NH2+]CC3=CC=C(C=C3)C

InChI

InChI=1S/C23H27N3O4/c1-4-30-22(27)20-19(14-24-13-16-7-5-15(2)6-8-16)25-23(28)26-21(20)17-9-11-18(29-3)12-10-17/h5-12,21,24H,4,13-14H2,1-3H3,(H2,25,26,28)/p+1/t21-/m1/s1