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

Systemtic Name: (4-dimethylaminophenyl)methyl-[[(4R)-5-ethoxycarbonyl-4-(furan-2-yl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-methyl-azanium Openeye Name: (4-dimethylaminophenyl)methyl-[[(4R)-5-ethoxycarbonyl-4-(2-furyl)-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-methyl-ammonium CAS Name: (4-dimethylaminophenyl)methyl-[[(4R)-5-ethoxycarbonyl-4-(2-furanyl)-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-methylammonium IUPAC Name: (4-dimethylaminophenyl)methyl-[[(4R)-5-ethoxycarbonyl-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-methylazanium Traditional Name: [(4R)-5-carbethoxy-4-(2-furyl)-2-keto-3,4-dihydro-1H-pyrimidin-6-yl]methyl-[4-(dimethylamino)benzyl]-methyl-ammonium Formula: C22H29N4O4+ MolecularWeight: 413.49006

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CO2)C[NH+](C)CC3=CC=C(C=C3)N(C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C2=CC=CO2)C[NH+](C)CC3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C22H28N4O4/c1-5-29-21(27)19-17(23-22(28)24-20(19)18-7-6-12-30-18)14-26(4)13-15-8-10-16(11-9-15)25(2)3/h6-12,20H,5,13-14H2,1-4H3,(H2,23,24,28)/p+1/t20-/m0/s1