2-[[3-[[4-(dimethylamino)-6-methyl-pyrimidin-2-yl]sulfanylmethyl]phenyl]carbonylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[3-[[4-(dimethylamino)-6-methyl-pyrimidin-2-yl]sulfanylmethyl]phenyl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[3-[[4-(dimethylamino)-6-methyl-pyrimidin-2-yl]sulfanylmethyl]benzoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[3-[[[4-(dimethylamino)-6-methyl-2-pyrimidinyl]thio]methyl]phenyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[3-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]sulfanylmethyl]benzoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[3-[[[4-(dimethylamino)-6-methyl-pyrimidin-2-yl]thio]methyl]benzoyl]amino]ethyl-dimethyl-ammonium Formula: C19H28N5OS+ MolecularWeight: 374.52352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCC[NH+](C)C)N(C)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCC[NH+](C)C)N(C)C

InChI

InChI=1S/C19H27N5OS/c1-14-11-17(24(4)5)22-19(21-14)26-13-15-7-6-8-16(12-15)18(25)20-9-10-23(2)3/h6-8,11-12H,9-10,13H2,1-5H3,(H,20,25)/p+1