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

Systemtic Name: (5-ethoxycarbonyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl)methyl-[(4-ethoxyphenyl)methyl]-methyl-azanium Openeye Name: (5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl-[(4-ethoxyphenyl)methyl]-methyl-ammonium CAS Name: (5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl-[(4-ethoxyphenyl)methyl]-methylammonium IUPAC Name: (5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl-[(4-ethoxyphenyl)methyl]-methylazanium Traditional Name: (5-carbethoxy-2-keto-3,4-dihydro-1H-pyrimidin-6-yl)methyl-(4-ethoxybenzyl)-methyl-ammonium Formula: C18H26N3O4+ MolecularWeight: 348.41674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+](C)CC2=C(CNC(=O)N2)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+](C)CC2=C(CNC(=O)N2)C(=O)OCC

InChI

InChI=1S/C18H25N3O4/c1-4-24-14-8-6-13(7-9-14)11-21(3)12-16-15(17(22)25-5-2)10-19-18(23)20-16/h6-9H,4-5,10-12H2,1-3H3,(H2,19,20,23)/p+1