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

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(5-ethoxycarbonyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl)methyl]-methyl-azanium Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl]-methyl-ammonium CAS Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl]-methylammonium IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl]-methylazanium Traditional Name: (5-carbethoxy-2-keto-3,4-dihydro-1H-pyrimidin-6-yl)methyl-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methyl-ammonium Formula: C18H24N3O5+ MolecularWeight: 362.40026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)C[NH+](C)CC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)C[NH+](C)CC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C18H23N3O5/c1-3-24-17(22)13-9-19-18(23)20-14(13)11-21(2)10-12-4-5-15-16(8-12)26-7-6-25-15/h4-5,8H,3,6-7,9-11H2,1-2H3,(H2,19,20,23)/p+1