(4-dimethylaminophenyl)methyl-[[(4S)-5-ethoxycarbonyl-4-(furan-2-yl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-ethyl-azanium

Systemtic Name: (4-dimethylaminophenyl)methyl-[[(4S)-5-ethoxycarbonyl-4-(furan-2-yl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-ethyl-azanium Openeye Name: (4-dimethylaminophenyl)methyl-[[(4S)-5-ethoxycarbonyl-4-(2-furyl)-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-ethyl-ammonium CAS Name: (4-dimethylaminophenyl)methyl-[[(4S)-5-ethoxycarbonyl-4-(2-furanyl)-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-ethylammonium IUPAC Name: (4-dimethylaminophenyl)methyl-[[(4S)-5-ethoxycarbonyl-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-ethylazanium Traditional Name: [(4S)-5-carbethoxy-4-(2-furyl)-2-keto-3,4-dihydro-1H-pyrimidin-6-yl]methyl-[4-(dimethylamino)benzyl]-ethyl-ammonium Formula: C23H31N4O4+ MolecularWeight: 427.51664

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=C(C=C1)N(C)C)CC2=C(C(NC(=O)N2)C3=CC=CO3)C(=O)OCC

Isomeric SMILES

CC[NH+](CC1=CC=C(C=C1)N(C)C)CC2=C([C@H](NC(=O)N2)C3=CC=CO3)C(=O)OCC

InChI

InChI=1S/C23H30N4O4/c1-5-27(14-16-9-11-17(12-10-16)26(3)4)15-18-20(22(28)30-6-2)21(25-23(29)24-18)19-8-7-13-31-19/h7-13,21H,5-6,14-15H2,1-4H3,(H2,24,25,29)/p+1/t21-/m1/s1