N-(2-fluorophenyl)-3-[(3R)-1-[(5-methyl-2-pyrazol-1-yl-phenyl)methyl]piperidin-1-ium-3-yl]propanamide

Systemtic Name: N-(2-fluorophenyl)-3-[(3R)-1-[(5-methyl-2-pyrazol-1-yl-phenyl)methyl]piperidin-1-ium-3-yl]propanamide Openeye Name: N-(2-fluorophenyl)-3-[(3R)-1-[(5-methyl-2-pyrazol-1-yl-phenyl)methyl]piperidin-1-ium-3-yl]propanamide CAS Name: N-(2-fluorophenyl)-3-[(3R)-1-[[5-methyl-2-(1-pyrazolyl)phenyl]methyl]-3-piperidin-1-iumyl]propanamide IUPAC Name: N-(2-fluorophenyl)-3-[(3R)-1-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-3-yl]propanamide Traditional Name: N-(2-fluorophenyl)-3-[(3R)-1-(5-methyl-2-pyrazol-1-yl-benzyl)piperidin-1-ium-3-yl]propionamide Formula: C25H30FN4O+ MolecularWeight: 421.530303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C=CC=N2)C[NH+]3CCCC(C3)CCC(=O)NC4=CC=CC=C4F

Isomeric SMILES

CC1=CC(=C(C=C1)N2C=CC=N2)C[NH+]3CCC[C@@H](C3)CCC(=O)NC4=CC=CC=C4F

InChI

InChI=1S/C25H29FN4O/c1-19-9-11-24(30-15-5-13-27-30)21(16-19)18-29-14-4-6-20(17-29)10-12-25(31)28-23-8-3-2-7-22(23)26/h2-3,5,7-9,11,13,15-16,20H,4,6,10,12,14,17-18H2,1H3,(H,28,31)/p+1/t20-/m1/s1