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

Systemtic Name: [5-cyclopropyl-1-[4-(2-fluorophenyl)pyrimidin-2-yl]pyrazol-4-yl]-(4-piperidin-1-ium-1-ylpiperidin-1-yl)methanone Openeye Name: [5-cyclopropyl-1-[4-(2-fluorophenyl)pyrimidin-2-yl]pyrazol-4-yl]-(4-piperidin-1-ium-1-yl-1-piperidyl)methanone CAS Name: [5-cyclopropyl-1-[4-(2-fluorophenyl)-2-pyrimidinyl]-4-pyrazolyl]-[4-(1-piperidin-1-iumyl)-1-piperidinyl]methanone IUPAC Name: [5-cyclopropyl-1-[4-(2-fluorophenyl)pyrimidin-2-yl]pyrazol-4-yl]-(4-piperidin-1-ium-1-ylpiperidin-1-yl)methanone Traditional Name: [5-cyclopropyl-1-[4-(2-fluorophenyl)pyrimidin-2-yl]pyrazol-4-yl]-(4-piperidin-1-ium-1-ylpiperidino)methanone Formula: C27H32FN6O+ MolecularWeight: 475.580983

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2CCN(CC2)C(=O)C3=C(N(N=C3)C4=NC=CC(=N4)C5=CC=CC=C5F)C6CC6

Isomeric SMILES

C1CC[NH+](CC1)C2CCN(CC2)C(=O)C3=C(N(N=C3)C4=NC=CC(=N4)C5=CC=CC=C5F)C6CC6

InChI

InChI=1S/C27H31FN6O/c28-23-7-3-2-6-21(23)24-10-13-29-27(31-24)34-25(19-8-9-19)22(18-30-34)26(35)33-16-11-20(12-17-33)32-14-4-1-5-15-32/h2-3,6-7,10,13,18-20H,1,4-5,8-9,11-12,14-17H2/p+1