(4-dimethylaminophenyl)methylidene-[(2R)-3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-oxidanyl-propyl]azanium

Systemtic Name: (4-dimethylaminophenyl)methylidene-[(2R)-3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-oxidanyl-propyl]azanium Openeye Name: (4-dimethylaminophenyl)methylene-[(2R)-3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-hydroxy-propyl]ammonium CAS Name: (4-dimethylaminophenyl)methylidene-[(2R)-3-[(4,6-dimethyl-2-pyrimidinyl)thio]-2-hydroxypropyl]ammonium IUPAC Name: (4-dimethylaminophenyl)methylidene-[(2R)-3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-hydroxypropyl]azanium Traditional Name: [4-(dimethylamino)benzylidene]-[(2R)-3-[(4,6-dimethylpyrimidin-2-yl)thio]-2-hydroxy-propyl]ammonium Formula: C18H25N4OS+ MolecularWeight: 345.4823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(C[NH+]=CC2=CC=C(C=C2)N(C)C)O)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC[C@@H](C[NH+]=CC2=CC=C(C=C2)N(C)C)O)C

InChI

InChI=1S/C18H24N4OS/c1-13-9-14(2)21-18(20-13)24-12-17(23)11-19-10-15-5-7-16(8-6-15)22(3)4/h5-10,17,23H,11-12H2,1-4H3/p+1/t17-/m1/s1