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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[[(4S)-5-ethoxycarbonyl-4-(furan-2-yl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-methyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[[(4S)-5-ethoxycarbonyl-4-(2-furyl)-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-methyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[[(4S)-5-ethoxycarbonyl-4-(2-furanyl)-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-methylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[[(4S)-5-ethoxycarbonyl-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-methylazanium Traditional Name: [(4S)-5-carbethoxy-4-(2-furyl)-2-keto-3,4-dihydro-1H-pyrimidin-6-yl]methyl-methyl-piperonyl-ammonium Formula: C21H24N3O6+ MolecularWeight: 414.43176

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CO2)C[NH+](C)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@@H]1C2=CC=CO2)C[NH+](C)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H23N3O6/c1-3-27-20(25)18-14(22-21(26)23-19(18)16-5-4-8-28-16)11-24(2)10-13-6-7-15-17(9-13)30-12-29-15/h4-9,19H,3,10-12H2,1-2H3,(H2,22,23,26)/p+1/t19-/m1/s1