N-[2-[1-[(8-fluoranylquinolin-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-methyl-butanamide

Systemtic Name: N-[2-[1-[(8-fluoranylquinolin-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-methyl-butanamide Openeye Name: N-[2-[1-[(8-fluoro-2-quinolyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-methyl-butanamide CAS Name: N-[2-[1-[(8-fluoro-2-quinolinyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-3-methylbutanamide IUPAC Name: N-[2-[1-[(8-fluoroquinolin-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-methylbutanamide Traditional Name: N-[2-[1-[(8-fluoro-2-quinolyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-methyl-butyramide Formula: C23H29FN5O+ MolecularWeight: 410.507663

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=NN1C2CC[NH+](CC2)CC3=NC4=C(C=CC=C4F)C=C3

Isomeric SMILES

CC(C)CC(=O)NC1=CC=NN1C2CC[NH+](CC2)CC3=NC4=C(C=CC=C4F)C=C3

InChI

InChI=1S/C23H28FN5O/c1-16(2)14-22(30)27-21-8-11-25-29(21)19-9-12-28(13-10-19)15-18-7-6-17-4-3-5-20(24)23(17)26-18/h3-8,11,16,19H,9-10,12-15H2,1-2H3,(H,27,30)/p+1