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

Systemtic Name: N-(4-fluoranyl-2-methyl-phenyl)-3-[(3R)-1-(quinolin-2-ylmethyl)piperidin-1-ium-3-yl]propanamide Openeye Name: N-(4-fluoro-2-methyl-phenyl)-3-[(3R)-1-(2-quinolylmethyl)piperidin-1-ium-3-yl]propanamide CAS Name: N-(4-fluoro-2-methylphenyl)-3-[(3R)-1-(2-quinolinylmethyl)-3-piperidin-1-iumyl]propanamide IUPAC Name: N-(4-fluoro-2-methylphenyl)-3-[(3R)-1-(quinolin-2-ylmethyl)piperidin-1-ium-3-yl]propanamide Traditional Name: N-(4-fluoro-2-methyl-phenyl)-3-[(3R)-1-(2-quinolylmethyl)piperidin-1-ium-3-yl]propionamide Formula: C25H29FN3O+ MolecularWeight: 406.515663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)NC(=O)CCC2CCC[NH+](C2)CC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=C(C=CC(=C1)F)NC(=O)CC[C@H]2CCC[NH+](C2)CC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H28FN3O/c1-18-15-21(26)10-12-23(18)28-25(30)13-8-19-5-4-14-29(16-19)17-22-11-9-20-6-2-3-7-24(20)27-22/h2-3,6-7,9-12,15,19H,4-5,8,13-14,16-17H2,1H3,(H,28,30)/p+1/t19-/m1/s1