[1-[[3-(2-fluorophenyl)-1-methyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]-piperidin-1-yl-methanone

Systemtic Name: [1-[[3-(2-fluorophenyl)-1-methyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]-piperidin-1-yl-methanone Openeye Name: [1-[[3-(2-fluorophenyl)-1-methyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]-(1-piperidyl)methanone CAS Name: [1-[[3-(2-fluorophenyl)-1-methyl-4-pyrazolyl]methyl]-4-piperidin-1-iumyl]-(1-piperidinyl)methanone IUPAC Name: [1-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]piperidin-1-ium-4-yl]-piperidin-1-ylmethanone Traditional Name: [1-[[3-(2-fluorophenyl)-1-methyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]-piperidino-methanone Formula: C22H30FN4O+ MolecularWeight: 385.498203

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC=CC=C2F)C[NH+]3CCC(CC3)C(=O)N4CCCCC4

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=CC=C2F)C[NH+]3CCC(CC3)C(=O)N4CCCCC4

InChI

InChI=1S/C22H29FN4O/c1-25-15-18(21(24-25)19-7-3-4-8-20(19)23)16-26-13-9-17(10-14-26)22(28)27-11-5-2-6-12-27/h3-4,7-8,15,17H,2,5-6,9-14,16H2,1H3/p+1