2-[[3-[[4-(dimethylamino)-5,6-dimethyl-pyrimidin-2-yl]sulfanylmethyl]phenyl]carbonylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[3-[[4-(dimethylamino)-5,6-dimethyl-pyrimidin-2-yl]sulfanylmethyl]phenyl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[3-[[4-(dimethylamino)-5,6-dimethyl-pyrimidin-2-yl]sulfanylmethyl]benzoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[3-[[[4-(dimethylamino)-5,6-dimethyl-2-pyrimidinyl]thio]methyl]phenyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[3-[[4-(dimethylamino)-5,6-dimethylpyrimidin-2-yl]sulfanylmethyl]benzoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[3-[[[4-(dimethylamino)-5,6-dimethyl-pyrimidin-2-yl]thio]methyl]benzoyl]amino]ethyl-dimethyl-ammonium Formula: C20H30N5OS+ MolecularWeight: 388.5501

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1N(C)C)SCC2=CC=CC(=C2)C(=O)NCC[NH+](C)C)C

Isomeric SMILES

CC1=C(N=C(N=C1N(C)C)SCC2=CC=CC(=C2)C(=O)NCC[NH+](C)C)C

InChI

InChI=1S/C20H29N5OS/c1-14-15(2)22-20(23-18(14)25(5)6)27-13-16-8-7-9-17(12-16)19(26)21-10-11-24(3)4/h7-9,12H,10-11,13H2,1-6H3,(H,21,26)/p+1