1-[[1-(3-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl]-4-pyridin-3-yl-piperidin-1-ium-4-ol

Systemtic Name: 1-[[1-(3-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl]-4-pyridin-3-yl-piperidin-1-ium-4-ol Openeye Name: 1-[[1-(3-fluorophenyl)-3-(5-methyl-2-furyl)pyrazol-4-yl]methyl]-4-(3-pyridyl)piperidin-1-ium-4-ol CAS Name: 1-[[1-(3-fluorophenyl)-3-(5-methyl-2-furanyl)-4-pyrazolyl]methyl]-4-(3-pyridinyl)-4-piperidin-1-iumol IUPAC Name: 1-[[1-(3-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl]-4-pyridin-3-ylpiperidin-1-ium-4-ol Traditional Name: 1-[[1-(3-fluorophenyl)-3-(5-methyl-2-furyl)pyrazol-4-yl]methyl]-4-(3-pyridyl)piperidin-1-ium-4-ol Formula: C25H26FN4O2+ MolecularWeight: 433.497943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=NN(C=C2C[NH+]3CCC(CC3)(C4=CN=CC=C4)O)C5=CC(=CC=C5)F

Isomeric SMILES

CC1=CC=C(O1)C2=NN(C=C2C[NH+]3CCC(CC3)(C4=CN=CC=C4)O)C5=CC(=CC=C5)F

InChI

InChI=1S/C25H25FN4O2/c1-18-7-8-23(32-18)24-19(17-30(28-24)22-6-2-5-21(26)14-22)16-29-12-9-25(31,10-13-29)20-4-3-11-27-15-20/h2-8,11,14-15,17,31H,9-10,12-13,16H2,1H3/p+1