(5S)-5-ethyl-4,6-bis(oxidanylidene)-5-phenyl-1-(piperidin-1-ium-1-ylmethyl)pyrimidin-2-olate

Systemtic Name: (5S)-5-ethyl-4,6-bis(oxidanylidene)-5-phenyl-1-(piperidin-1-ium-1-ylmethyl)pyrimidin-2-olate Openeye Name: (5S)-5-ethyl-4,6-dioxo-5-phenyl-1-(piperidin-1-ium-1-ylmethyl)pyrimidin-2-olate CAS Name: (5S)-5-ethyl-4,6-dioxo-5-phenyl-1-(1-piperidin-1-iumylmethyl)-2-pyrimidinolate IUPAC Name: (5S)-5-ethyl-4,6-dioxo-5-phenyl-1-(piperidin-1-ium-1-ylmethyl)pyrimidin-2-olate Traditional Name: (5S)-5-ethyl-4,6-diketo-5-phenyl-1-(piperidin-1-ium-1-ylmethyl)pyrimidin-2-olate Formula: C18H23N3O3 MolecularWeight: 329.39352

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(=O)N=C(N(C1=O)C[NH+]2CCCCC2)[O-])C3=CC=CC=C3

Isomeric SMILES

CC[C@@]1(C(=O)N=C(N(C1=O)C[NH+]2CCCCC2)[O-])C3=CC=CC=C3

InChI

InChI=1S/C18H23N3O3/c1-2-18(14-9-5-3-6-10-14)15(22)19-17(24)21(16(18)23)13-20-11-7-4-8-12-20/h3,5-6,9-10H,2,4,7-8,11-13H2,1H3,(H,19,22,24)/t18-/m0/s1