3-[[1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]carbonyl-methyl-amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]carbonyl-methyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[[1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-methyl-pyrazole-4-carbonyl]-methyl-amino]propyl-dimethyl-ammonium CAS Name: 3-[[[1-[4-(2-fluorophenyl)-2-pyrimidinyl]-5-methyl-4-pyrazolyl]-oxomethyl]-methylamino]propyl-dimethylammonium IUPAC Name: 3-[[1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-methylpyrazole-4-carbonyl]-methylamino]propyl-dimethylazanium Traditional Name: 3-[[1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-methyl-pyrazole-4-carbonyl]-methyl-amino]propyl-dimethyl-ammonium Formula: C21H26FN6O+ MolecularWeight: 397.469143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=NC=CC(=N2)C3=CC=CC=C3F)C(=O)N(C)CCC[NH+](C)C

Isomeric SMILES

CC1=C(C=NN1C2=NC=CC(=N2)C3=CC=CC=C3F)C(=O)N(C)CCC[NH+](C)C

InChI

InChI=1S/C21H25FN6O/c1-15-17(20(29)27(4)13-7-12-26(2)3)14-24-28(15)21-23-11-10-19(25-21)16-8-5-6-9-18(16)22/h5-6,8-11,14H,7,12-13H2,1-4H3/p+1