3-[(3R)-1-[(6-acetamidoquinolin-2-yl)methyl]piperidin-1-ium-3-yl]-N-(2-fluorophenyl)propanamide

Systemtic Name: 3-[(3R)-1-[(6-acetamidoquinolin-2-yl)methyl]piperidin-1-ium-3-yl]-N-(2-fluorophenyl)propanamide Openeye Name: 3-[(3R)-1-[(6-acetamido-2-quinolyl)methyl]piperidin-1-ium-3-yl]-N-(2-fluorophenyl)propanamide CAS Name: 3-[(3R)-1-[(6-acetamido-2-quinolinyl)methyl]-3-piperidin-1-iumyl]-N-(2-fluorophenyl)propanamide IUPAC Name: 3-[(3R)-1-[(6-acetamidoquinolin-2-yl)methyl]piperidin-1-ium-3-yl]-N-(2-fluorophenyl)propanamide Traditional Name: 3-[(3R)-1-[(6-acetamido-2-quinolyl)methyl]piperidin-1-ium-3-yl]-N-(2-fluorophenyl)propionamide Formula: C26H30FN4O2+ MolecularWeight: 449.540403

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N=C(C=C2)C[NH+]3CCCC(C3)CCC(=O)NC4=CC=CC=C4F

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N=C(C=C2)C[NH+]3CCC[C@@H](C3)CCC(=O)NC4=CC=CC=C4F

InChI

InChI=1S/C26H29FN4O2/c1-18(32)28-21-11-12-24-20(15-21)9-10-22(29-24)17-31-14-4-5-19(16-31)8-13-26(33)30-25-7-3-2-6-23(25)27/h2-3,6-7,9-12,15,19H,4-5,8,13-14,16-17H2,1H3,(H,28,32)(H,30,33)/p+1/t19-/m1/s1