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

Systemtic Name: (5-ethoxycarbonyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl)methyl-[(3-fluorophenyl)methyl]-methyl-azanium Openeye Name: (5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl-[(3-fluorophenyl)methyl]-methyl-ammonium CAS Name: (5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl-[(3-fluorophenyl)methyl]-methylammonium IUPAC Name: (5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl-[(3-fluorophenyl)methyl]-methylazanium Traditional Name: (5-carbethoxy-2-keto-3,4-dihydro-1H-pyrimidin-6-yl)methyl-(3-fluorobenzyl)-methyl-ammonium Formula: C16H21FN3O3+ MolecularWeight: 322.354643

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)C[NH+](C)CC2=CC(=CC=C2)F

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)C[NH+](C)CC2=CC(=CC=C2)F

InChI

InChI=1S/C16H20FN3O3/c1-3-23-15(21)13-8-18-16(22)19-14(13)10-20(2)9-11-5-4-6-12(17)7-11/h4-7H,3,8-10H2,1-2H3,(H2,18,19,22)/p+1