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

Systemtic Name: N-(4-fluoranyl-2-methyl-phenyl)-3-[(3R)-1-[(4-oxidanylidene-1H-quinolin-2-yl)methyl]piperidin-1-ium-3-yl]propanamide Openeye Name: N-(4-fluoro-2-methyl-phenyl)-3-[(3R)-1-[(4-oxo-1H-quinolin-2-yl)methyl]piperidin-1-ium-3-yl]propanamide CAS Name: N-(4-fluoro-2-methylphenyl)-3-[(3R)-1-[(4-oxo-1H-quinolin-2-yl)methyl]-3-piperidin-1-iumyl]propanamide IUPAC Name: N-(4-fluoro-2-methylphenyl)-3-[(3R)-1-[(4-oxo-1H-quinolin-2-yl)methyl]piperidin-1-ium-3-yl]propanamide Traditional Name: N-(4-fluoro-2-methyl-phenyl)-3-[(3R)-1-[(4-keto-1H-quinolin-2-yl)methyl]piperidin-1-ium-3-yl]propionamide Formula: C25H29FN3O2+ MolecularWeight: 422.515063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)NC(=O)CCC2CCC[NH+](C2)CC3=CC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC1=C(C=CC(=C1)F)NC(=O)CC[C@H]2CCC[NH+](C2)CC3=CC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C25H28FN3O2/c1-17-13-19(26)9-10-22(17)28-25(31)11-8-18-5-4-12-29(15-18)16-20-14-24(30)21-6-2-3-7-23(21)27-20/h2-3,6-7,9-10,13-14,18H,4-5,8,11-12,15-16H2,1H3,(H,27,30)(H,28,31)/p+1/t18-/m1/s1