dimethyl-[2-[6-methyl-5-[(1S)-1-oxidanylethyl]-2-phenyl-pyrimidin-4-yl]sulfanylethyl]azanium

Systemtic Name: dimethyl-[2-[6-methyl-5-[(1S)-1-oxidanylethyl]-2-phenyl-pyrimidin-4-yl]sulfanylethyl]azanium Openeye Name: 2-[5-[(1S)-1-hydroxyethyl]-6-methyl-2-phenyl-pyrimidin-4-yl]sulfanylethyl-dimethyl-ammonium CAS Name: 2-[[5-[(1S)-1-hydroxyethyl]-6-methyl-2-phenyl-4-pyrimidinyl]thio]ethyl-dimethylammonium IUPAC Name: 2-[5-[(1S)-1-hydroxyethyl]-6-methyl-2-phenylpyrimidin-4-yl]sulfanylethyl-dimethylazanium Traditional Name: 2-[[5-[(1S)-1-hydroxyethyl]-6-methyl-2-phenyl-pyrimidin-4-yl]thio]ethyl-dimethyl-ammonium Formula: C17H24N3OS+ MolecularWeight: 318.45696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)SCC[NH+](C)C)C(C)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)SCC[NH+](C)C)[C@H](C)O

InChI

InChI=1S/C17H23N3OS/c1-12-15(13(2)21)17(22-11-10-20(3)4)19-16(18-12)14-8-6-5-7-9-14/h5-9,13,21H,10-11H2,1-4H3/p+1/t13-/m0/s1