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

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl-[[(4S)-5-ethoxycarbonyl-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-methyl-azanium Openeye Name: (2-chloro-6-fluoro-phenyl)methyl-[[(4S)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-methyl-ammonium CAS Name: (2-chloro-6-fluorophenyl)methyl-[[(4S)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-methylammonium IUPAC Name: (2-chloro-6-fluorophenyl)methyl-[[(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-chloro-6-fluoro-benzyl)-methyl-ammonium Formula: C18H24ClFN3O3+ MolecularWeight: 384.852863

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)C[NH+](C)CC2=C(C=CC=C2Cl)F)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)C[NH+](C)CC2=C(C=CC=C2Cl)F)C(=O)OCC

InChI

InChI=1S/C18H23ClFN3O3/c1-4-14-16(17(24)26-5-2)15(22-18(25)21-14)10-23(3)9-11-12(19)7-6-8-13(11)20/h6-8,14H,4-5,9-10H2,1-3H3,(H2,21,22,25)/p+1/t14-/m0/s1