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

Systemtic Name: 3-[[1-[4-(4-fluorophenyl)-5-methyl-pyrimidin-2-yl]-5-propan-2-yl-pyrazol-4-yl]carbonyl-methyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[[1-[4-(4-fluorophenyl)-5-methyl-pyrimidin-2-yl]-5-isopropyl-pyrazole-4-carbonyl]-methyl-amino]propyl-dimethyl-ammonium CAS Name: 3-[[[1-[4-(4-fluorophenyl)-5-methyl-2-pyrimidinyl]-5-propan-2-yl-4-pyrazolyl]-oxomethyl]-methylamino]propyl-dimethylammonium IUPAC Name: 3-[[1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-propan-2-ylpyrazole-4-carbonyl]-methylamino]propyl-dimethylazanium Traditional Name: 3-[[1-[4-(4-fluorophenyl)-5-methyl-pyrimidin-2-yl]-5-isopropyl-pyrazole-4-carbonyl]-methyl-amino]propyl-dimethyl-ammonium Formula: C24H32FN6O+ MolecularWeight: 439.548883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2=CC=C(C=C2)F)N3C(=C(C=N3)C(=O)N(C)CCC[NH+](C)C)C(C)C

Isomeric SMILES

CC1=CN=C(N=C1C2=CC=C(C=C2)F)N3C(=C(C=N3)C(=O)N(C)CCC[NH+](C)C)C(C)C

InChI

InChI=1S/C24H31FN6O/c1-16(2)22-20(23(32)30(6)13-7-12-29(4)5)15-27-31(22)24-26-14-17(3)21(28-24)18-8-10-19(25)11-9-18/h8-11,14-16H,7,12-13H2,1-6H3/p+1