N-(4-fluoranyl-2-methyl-phenyl)-3-[(3R)-1-(pyridin-3-ylmethyl)piperidin-1-ium-3-yl]propanamide

Systemtic Name: N-(4-fluoranyl-2-methyl-phenyl)-3-[(3R)-1-(pyridin-3-ylmethyl)piperidin-1-ium-3-yl]propanamide Openeye Name: N-(4-fluoro-2-methyl-phenyl)-3-[(3R)-1-(3-pyridylmethyl)piperidin-1-ium-3-yl]propanamide CAS Name: N-(4-fluoro-2-methylphenyl)-3-[(3R)-1-(3-pyridinylmethyl)-3-piperidin-1-iumyl]propanamide IUPAC Name: N-(4-fluoro-2-methylphenyl)-3-[(3R)-1-(pyridin-3-ylmethyl)piperidin-1-ium-3-yl]propanamide Traditional Name: N-(4-fluoro-2-methyl-phenyl)-3-[(3R)-1-(3-pyridylmethyl)piperidin-1-ium-3-yl]propionamide Formula: C21H27FN3O+ MolecularWeight: 356.456983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)NC(=O)CCC2CCC[NH+](C2)CC3=CN=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)F)NC(=O)CC[C@H]2CCC[NH+](C2)CC3=CN=CC=C3

InChI

InChI=1S/C21H26FN3O/c1-16-12-19(22)7-8-20(16)24-21(26)9-6-17-5-3-11-25(14-17)15-18-4-2-10-23-13-18/h2,4,7-8,10,12-13,17H,3,5-6,9,11,14-15H2,1H3,(H,24,26)/p+1/t17-/m1/s1