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

Systemtic Name: [(4R)-5-ethoxycarbonyl-2-oxidanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-6-yl]methyl-[(3-fluorophenyl)methyl]-methyl-azanium Openeye Name: [(4R)-5-ethoxycarbonyl-2-oxo-4-(2-thienyl)-3,4-dihydro-1H-pyrimidin-6-yl]methyl-[(3-fluorophenyl)methyl]-methyl-ammonium CAS Name: [(4R)-5-ethoxycarbonyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-6-yl]methyl-[(3-fluorophenyl)methyl]-methylammonium IUPAC Name: [(4R)-5-ethoxycarbonyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-6-yl]methyl-[(3-fluorophenyl)methyl]-methylazanium Traditional Name: [(4R)-5-carbethoxy-2-keto-4-(2-thienyl)-3,4-dihydro-1H-pyrimidin-6-yl]methyl-(3-fluorobenzyl)-methyl-ammonium Formula: C20H23FN3O3S+ MolecularWeight: 404.478323

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CS2)C[NH+](C)CC3=CC(=CC=C3)F

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C2=CC=CS2)C[NH+](C)CC3=CC(=CC=C3)F

InChI

InChI=1S/C20H22FN3O3S/c1-3-27-19(25)17-15(12-24(2)11-13-6-4-7-14(21)10-13)22-20(26)23-18(17)16-8-5-9-28-16/h4-10,18H,3,11-12H2,1-2H3,(H2,22,23,26)/p+1/t18-/m0/s1