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

Systemtic Name: (4S)-2-oxidanylidene-4-phenyl-6-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: (4S)-2-oxo-4-phenyl-6-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-2-oxo-4-phenyl-6-(1-piperidin-1-iumylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate IUPAC Name: (4S)-2-oxo-4-phenyl-6-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-2-keto-4-phenyl-6-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Formula: C17H21N3O3 MolecularWeight: 315.36694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O3/c21-16(22)14-13(11-20-9-5-2-6-10-20)18-17(23)19-15(14)12-7-3-1-4-8-12/h1,3-4,7-8,15H,2,5-6,9-11H2,(H,21,22)(H2,18,19,23)/t15-/m0/s1