diethyl-[2-(5-octyl-6-oxidanyl-4-oxidanylidene-1-phenyl-pyrimidin-2-yl)sulfanylethyl]azanium

Systemtic Name: diethyl-[2-(5-octyl-6-oxidanyl-4-oxidanylidene-1-phenyl-pyrimidin-2-yl)sulfanylethyl]azanium Openeye Name: diethyl-[2-(6-hydroxy-5-octyl-4-oxo-1-phenyl-pyrimidin-2-yl)sulfanylethyl]ammonium CAS Name: diethyl-[2-[(6-hydroxy-5-octyl-4-oxo-1-phenyl-2-pyrimidinyl)thio]ethyl]ammonium IUPAC Name: diethyl-[2-(6-hydroxy-5-octyl-4-oxo-1-phenylpyrimidin-2-yl)sulfanylethyl]azanium Traditional Name: diethyl-[2-[(6-hydroxy-4-keto-5-octyl-1-phenyl-pyrimidin-2-yl)thio]ethyl]ammonium Formula: C24H38N3O2S+ MolecularWeight: 432.64242

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(N(C(=NC1=O)SCC[NH+](CC)CC)C2=CC=CC=C2)O

Isomeric SMILES

CCCCCCCCC1=C(N(C(=NC1=O)SCC[NH+](CC)CC)C2=CC=CC=C2)O

InChI

InChI=1S/C24H37N3O2S/c1-4-7-8-9-10-14-17-21-22(28)25-24(30-19-18-26(5-2)6-3)27(23(21)29)20-15-12-11-13-16-20/h11-13,15-16,29H,4-10,14,17-19H2,1-3H3/p+1