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

Systemtic Name: diethyl-[2-[(5-octyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethyl]azanium Openeye Name: diethyl-[2-[(4-hydroxy-5-octyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]ethyl]ammonium CAS Name: diethyl-[2-[(4-hydroxy-5-octyl-6-oxo-1H-pyrimidin-2-yl)thio]ethyl]ammonium IUPAC Name: diethyl-[2-[(4-hydroxy-5-octyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]ethyl]azanium Traditional Name: diethyl-[2-[(4-hydroxy-6-keto-5-octyl-1H-pyrimidin-2-yl)thio]ethyl]ammonium Formula: C18H34N3O2S+ MolecularWeight: 356.54646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H33N3O2S/c1-4-7-8-9-10-11-12-15-16(22)19-18(20-17(15)23)24-14-13-21(5-2)6-3/h4-14H2,1-3H3,(H2,19,20,22,23)/p+1