3-[[2-(3,5-dimethylpyrazol-1-yl)-6-phenyl-pyrimidin-4-yl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[2-(3,5-dimethylpyrazol-1-yl)-6-phenyl-pyrimidin-4-yl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[2-(3,5-dimethylpyrazol-1-yl)-6-phenyl-pyrimidin-4-yl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[2-(3,5-dimethyl-1-pyrazolyl)-6-phenyl-4-pyrimidinyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[2-(3,5-dimethylpyrazol-1-yl)-6-phenylpyrimidin-4-yl]amino]propyl-dimethylazanium Traditional Name: 3-[[2-(3,5-dimethylpyrazol-1-yl)-6-phenyl-pyrimidin-4-yl]amino]propyl-dimethyl-ammonium Formula: C20H27N6+ MolecularWeight: 351.46858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC(=CC(=N2)NCCC[NH+](C)C)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NN1C2=NC(=CC(=N2)NCCC[NH+](C)C)C3=CC=CC=C3)C

InChI

InChI=1S/C20H26N6/c1-15-13-16(2)26(24-15)20-22-18(17-9-6-5-7-10-17)14-19(23-20)21-11-8-12-25(3)4/h5-7,9-10,13-14H,8,11-12H2,1-4H3,(H,21,22,23)/p+1