1-[(4-fluorophenyl)methyl]-6-oxidanylidene-5-[[1-(phenylmethyl)piperidin-1-ium-4-yl]iminomethyl]-2-sulfanylidene-5H-pyrimidin-4-olate

Systemtic Name: 1-[(4-fluorophenyl)methyl]-6-oxidanylidene-5-[[1-(phenylmethyl)piperidin-1-ium-4-yl]iminomethyl]-2-sulfanylidene-5H-pyrimidin-4-olate Openeye Name: 5-[(1-benzylpiperidin-1-ium-4-yl)iminomethyl]-1-[(4-fluorophenyl)methyl]-6-oxo-2-thioxo-5H-pyrimidin-4-olate CAS Name: 1-[(4-fluorophenyl)methyl]-6-oxo-5-[[1-(phenylmethyl)-4-piperidin-1-iumyl]iminomethyl]-2-sulfanylidene-5H-pyrimidin-4-olate IUPAC Name: 5-[(1-benzylpiperidin-1-ium-4-yl)iminomethyl]-1-[(4-fluorophenyl)methyl]-6-oxo-2-sulfanylidene-5H-pyrimidin-4-olate Traditional Name: 5-[(1-benzylpiperidin-1-ium-4-yl)iminomethyl]-1-(4-fluorobenzyl)-6-keto-2-thioxo-5H-pyrimidin-4-olate Formula: C24H25FN4O2S MolecularWeight: 452.544303

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N=CC2C(=NC(=S)N(C2=O)CC3=CC=C(C=C3)F)[O-])CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1N=CC2C(=NC(=S)N(C2=O)CC3=CC=C(C=C3)F)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C24H25FN4O2S/c25-19-8-6-18(7-9-19)16-29-23(31)21(22(30)27-24(29)32)14-26-20-10-12-28(13-11-20)15-17-4-2-1-3-5-17/h1-9,14,20-21H,10-13,15-16H2,(H,27,30,32)