2-[(5-hexyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethyl-dimethyl-azanium

Systemtic Name: 2-[(5-hexyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethyl-dimethyl-azanium Openeye Name: 2-[(5-hexyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]ethyl-dimethyl-ammonium CAS Name: 2-[(5-hexyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)thio]ethyl-dimethylammonium IUPAC Name: 2-[(5-hexyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]ethyl-dimethylazanium Traditional Name: 2-[(5-hexyl-4-hydroxy-6-keto-1H-pyrimidin-2-yl)thio]ethyl-dimethyl-ammonium Formula: C14H26N3O2S+ MolecularWeight: 300.44014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(N=C(NC1=O)SCC[NH+](C)C)O

Isomeric SMILES

CCCCCCC1=C(N=C(NC1=O)SCC[NH+](C)C)O

InChI

InChI=1S/C14H25N3O2S/c1-4-5-6-7-8-11-12(18)15-14(16-13(11)19)20-10-9-17(2)3/h4-10H2,1-3H3,(H2,15,16,18,19)/p+1