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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[[(4R)-5-ethoxycarbonyl-4-(furan-2-yl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[[(4R)-5-ethoxycarbonyl-4-(2-furyl)-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[[(4R)-5-ethoxycarbonyl-4-(2-furanyl)-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[[(4R)-5-ethoxycarbonyl-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]azanium Traditional Name: [(4R)-5-carbethoxy-4-(2-furyl)-2-keto-3,4-dihydro-1H-pyrimidin-6-yl]methyl-cyclopentyl-piperonyl-ammonium Formula: C25H30N3O6+ MolecularWeight: 468.5222

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CO2)C[NH+](CC3=CC4=C(C=C3)OCO4)C5CCCC5

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C2=CC=CO2)C[NH+](CC3=CC4=C(C=C3)OCO4)C5CCCC5

InChI

InChI=1S/C25H29N3O6/c1-2-31-24(29)22-18(26-25(30)27-23(22)20-8-5-11-32-20)14-28(17-6-3-4-7-17)13-16-9-10-19-21(12-16)34-15-33-19/h5,8-12,17,23H,2-4,6-7,13-15H2,1H3,(H2,26,27,30)/p+1/t23-/m0/s1