4-(4-fluorophenyl)-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]butanamide

Systemtic Name: 4-(4-fluorophenyl)-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]butanamide Openeye Name: 4-(4-fluorophenyl)-N-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]butanamide CAS Name: 4-(4-fluorophenyl)-N-[(3S)-1-(2-pyridinylmethyl)-3-piperidin-1-iumyl]butanamide IUPAC Name: 4-(4-fluorophenyl)-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]butanamide Traditional Name: 4-(4-fluorophenyl)-N-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]butyramide Formula: C21H27FN3O+ MolecularWeight: 356.456983

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CC=N2)NC(=O)CCCC3=CC=C(C=C3)F

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CC=N2)NC(=O)CCCC3=CC=C(C=C3)F

InChI

InChI=1S/C21H26FN3O/c22-18-11-9-17(10-12-18)5-3-8-21(26)24-20-7-4-14-25(16-20)15-19-6-1-2-13-23-19/h1-2,6,9-13,20H,3-5,7-8,14-16H2,(H,24,26)/p+1/t20-/m0/s1