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

Systemtic Name: [(4S)-5-ethoxycarbonyl-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methyl-[(3-fluoranyl-4-methoxy-phenyl)methyl]-methyl-azanium Openeye Name: [(4S)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl-[(3-fluoro-4-methoxy-phenyl)methyl]-methyl-ammonium CAS Name: [(4S)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl-[(3-fluoro-4-methoxyphenyl)methyl]-methylammonium IUPAC Name: [(4S)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium Traditional Name: [(4S)-5-carbethoxy-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidin-6-yl]methyl-(3-fluoro-4-methoxy-benzyl)-methyl-ammonium Formula: C19H27FN3O4+ MolecularWeight: 380.433783

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)C[NH+](C)CC2=CC(=C(C=C2)OC)F)C(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C19H26FN3O4/c1-5-14-17(18(24)27-6-2)15(22-19(25)21-14)11-23(3)10-12-7-8-16(26-4)13(20)9-12/h7-9,14H,5-6,10-11H2,1-4H3,(H2,21,22,25)/p+1/t14-/m0/s1