2-[[4-[(4,5-dimethyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]phenyl]carbonylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[4-[(4,5-dimethyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]phenyl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[4-[(4,5-dimethyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]benzoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[4-[[[4,5-dimethyl-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]phenyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[4-[(4,5-dimethyl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylmethyl]benzoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[4-[[(4,5-dimethyl-6-pyrrolidino-pyrimidin-2-yl)thio]methyl]benzoyl]amino]ethyl-dimethyl-ammonium Formula: C22H32N5OS+ MolecularWeight: 414.58738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1N2CCCC2)SCC3=CC=C(C=C3)C(=O)NCC[NH+](C)C)C

Isomeric SMILES

CC1=C(N=C(N=C1N2CCCC2)SCC3=CC=C(C=C3)C(=O)NCC[NH+](C)C)C

InChI

InChI=1S/C22H31N5OS/c1-16-17(2)24-22(25-20(16)27-12-5-6-13-27)29-15-18-7-9-19(10-8-18)21(28)23-11-14-26(3)4/h7-10H,5-6,11-15H2,1-4H3,(H,23,28)/p+1