N-[[(3R)-1-[2-(4-fluorophenyl)ethyl]piperidin-1-ium-3-yl]methyl]-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide

Systemtic Name: N-[[(3R)-1-[2-(4-fluorophenyl)ethyl]piperidin-1-ium-3-yl]methyl]-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide Openeye Name: N-[[(3R)-1-[2-(4-fluorophenyl)ethyl]piperidin-1-ium-3-yl]methyl]-5-isopropyl-N-methyl-1H-pyrazole-3-carboxamide CAS Name: N-[[(3R)-1-[2-(4-fluorophenyl)ethyl]-3-piperidin-1-iumyl]methyl]-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide IUPAC Name: N-[[(3R)-1-[2-(4-fluorophenyl)ethyl]piperidin-1-ium-3-yl]methyl]-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide Traditional Name: N-[[(3R)-1-[2-(4-fluorophenyl)ethyl]piperidin-1-ium-3-yl]methyl]-5-isopropyl-N-methyl-1H-pyrazole-3-carboxamide Formula: C22H32FN4O+ MolecularWeight: 387.514083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=NN1)C(=O)N(C)CC2CCC[NH+](C2)CCC3=CC=C(C=C3)F

Isomeric SMILES

CC(C)C1=CC(=NN1)C(=O)N(C)C[C@H]2CCC[NH+](C2)CCC3=CC=C(C=C3)F

InChI

InChI=1S/C22H31FN4O/c1-16(2)20-13-21(25-24-20)22(28)26(3)14-18-5-4-11-27(15-18)12-10-17-6-8-19(23)9-7-17/h6-9,13,16,18H,4-5,10-12,14-15H2,1-3H3,(H,24,25)/p+1/t18-/m1/s1