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

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[[(4S)-5-ethoxycarbonyl-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-methyl-azanium Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[[(4S)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-methyl-ammonium CAS Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[[(4S)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-methylammonium IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[[(4S)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-methylazanium Traditional Name: [(4S)-5-carbethoxy-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidin-6-yl]methyl-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methyl-ammonium Formula: C20H28N3O5+ MolecularWeight: 390.45342

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)C[NH+](C)CC2=CC3=C(C=C2)OCCO3)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)C[NH+](C)CC2=CC3=C(C=C2)OCCO3)C(=O)OCC

InChI

InChI=1S/C20H27N3O5/c1-4-14-18(19(24)26-5-2)15(22-20(25)21-14)12-23(3)11-13-6-7-16-17(10-13)28-9-8-27-16/h6-7,10,14H,4-5,8-9,11-12H2,1-3H3,(H2,21,22,25)/p+1/t14-/m0/s1