[1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-propan-2-yl-pyrazol-4-yl]-(4-piperidin-1-ium-1-ylpiperidin-1-yl)methanone

Systemtic Name: [1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-propan-2-yl-pyrazol-4-yl]-(4-piperidin-1-ium-1-ylpiperidin-1-yl)methanone Openeye Name: [1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-isopropyl-pyrazol-4-yl]-(4-piperidin-1-ium-1-yl-1-piperidyl)methanone CAS Name: [1-[4-(2-fluorophenyl)-2-pyrimidinyl]-5-propan-2-yl-4-pyrazolyl]-[4-(1-piperidin-1-iumyl)-1-piperidinyl]methanone IUPAC Name: [1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-propan-2-ylpyrazol-4-yl]-(4-piperidin-1-ium-1-ylpiperidin-1-yl)methanone Traditional Name: [1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-isopropyl-pyrazol-4-yl]-(4-piperidin-1-ium-1-ylpiperidino)methanone Formula: C27H34FN6O+ MolecularWeight: 477.596863

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=NN1C2=NC=CC(=N2)C3=CC=CC=C3F)C(=O)N4CCC(CC4)[NH+]5CCCCC5

Isomeric SMILES

CC(C)C1=C(C=NN1C2=NC=CC(=N2)C3=CC=CC=C3F)C(=O)N4CCC(CC4)[NH+]5CCCCC5

InChI

InChI=1S/C27H33FN6O/c1-19(2)25-22(26(35)33-16-11-20(12-17-33)32-14-6-3-7-15-32)18-30-34(25)27-29-13-10-24(31-27)21-8-4-5-9-23(21)28/h4-5,8-10,13,18-20H,3,6-7,11-12,14-17H2,1-2H3/p+1