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

Systemtic Name: 2-[[4-[[4-(dimethylamino)-6-methyl-pyrimidin-2-yl]sulfanylmethyl]phenyl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[4-[[4-(dimethylamino)-6-methyl-pyrimidin-2-yl]sulfanylmethyl]benzoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[4-[[[4-(dimethylamino)-6-methyl-2-pyrimidinyl]thio]methyl]phenyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]sulfanylmethyl]benzoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[4-[[[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=C(C=C2)C(=O)NCC[NH+](C)C)N(C)C

Isomeric SMILES

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

InChI

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