2-[[5-cyclopropyl-1-[4-(2-fluorophenyl)pyrimidin-2-yl]pyrazol-4-yl]carbonyl-ethyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[5-cyclopropyl-1-[4-(2-fluorophenyl)pyrimidin-2-yl]pyrazol-4-yl]carbonyl-ethyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[[5-cyclopropyl-1-[4-(2-fluorophenyl)pyrimidin-2-yl]pyrazole-4-carbonyl]-ethyl-amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[5-cyclopropyl-1-[4-(2-fluorophenyl)-2-pyrimidinyl]-4-pyrazolyl]-oxomethyl]-ethylamino]ethyl-dimethylammonium IUPAC Name: 2-[[5-cyclopropyl-1-[4-(2-fluorophenyl)pyrimidin-2-yl]pyrazole-4-carbonyl]-ethylamino]ethyl-dimethylazanium Traditional Name: 2-[[5-cyclopropyl-1-[4-(2-fluorophenyl)pyrimidin-2-yl]pyrazole-4-carbonyl]-ethyl-amino]ethyl-dimethyl-ammonium Formula: C23H28FN6O+ MolecularWeight: 423.506423

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC[NH+](C)C)C(=O)C1=C(N(N=C1)C2=NC=CC(=N2)C3=CC=CC=C3F)C4CC4

Isomeric SMILES

CCN(CC[NH+](C)C)C(=O)C1=C(N(N=C1)C2=NC=CC(=N2)C3=CC=CC=C3F)C4CC4

InChI

InChI=1S/C23H27FN6O/c1-4-29(14-13-28(2)3)22(31)18-15-26-30(21(18)16-9-10-16)23-25-12-11-20(27-23)17-7-5-6-8-19(17)24/h5-8,11-12,15-16H,4,9-10,13-14H2,1-3H3/p+1