[2-[[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]methyl]phenyl]methyl-dimethyl-azanium

Systemtic Name: [2-[[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]methyl]phenyl]methyl-dimethyl-azanium Openeye Name: [2-[[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]methyl]phenyl]methyl-dimethyl-ammonium CAS Name: [2-[[[3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-1-oxopropyl]amino]methyl]phenyl]methyl-dimethylammonium IUPAC Name: [2-[[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoylamino]methyl]phenyl]methyl-dimethylazanium Traditional Name: [2-[[3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propanoylamino]methyl]benzyl]-dimethyl-ammonium Formula: C20H29N4OS+ MolecularWeight: 373.53546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NCC2=CC=CC=C2C[NH+](C)C

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NCC2=CC=CC=C2C[NH+](C)C

InChI

InChI=1S/C20H28N4OS/c1-14-18(15(2)23-20(22-14)26-5)10-11-19(25)21-12-16-8-6-7-9-17(16)13-24(3)4/h6-9H,10-13H2,1-5H3,(H,21,25)/p+1