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

Systemtic Name: [(4S)-4-(3,4-dimethoxyphenyl)-5-methoxycarbonyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methyl-phenethyl-azanium Openeye Name: [(4S)-4-(3,4-dimethoxyphenyl)-5-methoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl-phenethyl-ammonium CAS Name: [(4S)-4-(3,4-dimethoxyphenyl)-5-methoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl-phenethylammonium IUPAC Name: [(4S)-4-(3,4-dimethoxyphenyl)-5-methoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl-phenethylazanium Traditional Name: [(4S)-5-carbomethoxy-4-(3,4-dimethoxyphenyl)-2-keto-3,4-dihydro-1H-pyrimidin-6-yl]methyl-phenethyl-ammonium Formula: C23H28N3O5+ MolecularWeight: 426.48552

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C(=C(NC(=O)N2)C[NH2+]CCC3=CC=CC=C3)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H]2C(=C(NC(=O)N2)C[NH2+]CCC3=CC=CC=C3)C(=O)OC)OC

InChI

InChI=1S/C23H27N3O5/c1-29-18-10-9-16(13-19(18)30-2)21-20(22(27)31-3)17(25-23(28)26-21)14-24-12-11-15-7-5-4-6-8-15/h4-10,13,21,24H,11-12,14H2,1-3H3,(H2,25,26,28)/p+1/t21-/m0/s1