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

Systemtic Name: [(4S)-5-ethoxycarbonyl-4-(furan-2-yl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methyl-[(2-methoxy-5-methyl-phenyl)methyl]-methyl-azanium Openeye Name: [(4S)-5-ethoxycarbonyl-4-(2-furyl)-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl-[(2-methoxy-5-methyl-phenyl)methyl]-methyl-ammonium CAS Name: [(4S)-5-ethoxycarbonyl-4-(2-furanyl)-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl-[(2-methoxy-5-methylphenyl)methyl]-methylammonium IUPAC Name: [(4S)-5-ethoxycarbonyl-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl-[(2-methoxy-5-methylphenyl)methyl]-methylazanium Traditional Name: [(4S)-5-carbethoxy-4-(2-furyl)-2-keto-3,4-dihydro-1H-pyrimidin-6-yl]methyl-(2-methoxy-5-methyl-benzyl)-methyl-ammonium Formula: C22H28N3O5+ MolecularWeight: 414.47482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O5/c1-5-29-21(26)19-16(23-22(27)24-20(19)18-7-6-10-30-18)13-25(3)12-15-11-14(2)8-9-17(15)28-4/h6-11,20H,5,12-13H2,1-4H3,(H2,23,24,27)/p+1/t20-/m1/s1