(4S)-4-(4-fluorophenyl)-2-oxidanylidene-6-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: (4S)-4-(4-fluorophenyl)-2-oxidanylidene-6-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: (4S)-4-(4-fluorophenyl)-2-oxo-6-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(4-fluorophenyl)-2-oxo-6-(1-piperidin-1-iumylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate IUPAC Name: (4S)-4-(4-fluorophenyl)-2-oxo-6-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(4-fluorophenyl)-2-keto-6-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Formula: C17H20FN3O3 MolecularWeight: 333.357403

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=C(C(NC(=O)N2)C3=CC=C(C=C3)F)C(=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CC2=C([C@@H](NC(=O)N2)C3=CC=C(C=C3)F)C(=O)[O-]

InChI

InChI=1S/C17H20FN3O3/c18-12-6-4-11(5-7-12)15-14(16(22)23)13(19-17(24)20-15)10-21-8-2-1-3-9-21/h4-7,15H,1-3,8-10H2,(H,22,23)(H2,19,20,24)/t15-/m0/s1