[1-[[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]methyl]cycloheptyl]-dimethyl-azanium

Systemtic Name: [1-[[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]methyl]cycloheptyl]-dimethyl-azanium Openeye Name: [1-[[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]methyl]cycloheptyl]-dimethyl-ammonium CAS Name: [1-[[[3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-1-oxopropyl]amino]methyl]cycloheptyl]-dimethylammonium IUPAC Name: [1-[[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoylamino]methyl]cycloheptyl]-dimethylazanium Traditional Name: [1-[[3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propanoylamino]methyl]cycloheptyl]-dimethyl-ammonium Formula: C20H35N4OS+ MolecularWeight: 379.5831

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NCC2(CCCCCC2)[NH+](C)C

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NCC2(CCCCCC2)[NH+](C)C

InChI

InChI=1S/C20H34N4OS/c1-15-17(16(2)23-19(22-15)26-5)10-11-18(25)21-14-20(24(3)4)12-8-6-7-9-13-20/h6-14H2,1-5H3,(H,21,25)/p+1