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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[[(4S)-5-ethoxycarbonyl-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[[(4S)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[[(4S)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[[(4S)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]azanium Traditional Name: [(4S)-5-carbethoxy-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidin-6-yl]methyl-cyclopentyl-piperonyl-ammonium Formula: C23H32N3O5+ MolecularWeight: 430.51728

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)C[NH+](CC2=CC3=C(C=C2)OCO3)C4CCCC4)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)C[NH+](CC2=CC3=C(C=C2)OCO3)C4CCCC4)C(=O)OCC

InChI

InChI=1S/C23H31N3O5/c1-3-17-21(22(27)29-4-2)18(25-23(28)24-17)13-26(16-7-5-6-8-16)12-15-9-10-19-20(11-15)31-14-30-19/h9-11,16-17H,3-8,12-14H2,1-2H3,(H2,24,25,28)/p+1/t17-/m0/s1