8-fluoranyl-N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]quinoline-2-carboxamide

Systemtic Name: 8-fluoranyl-N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]quinoline-2-carboxamide Openeye Name: 8-fluoro-N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]quinoline-2-carboxamide CAS Name: 8-fluoro-N-methyl-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]-2-quinolinecarboxamide IUPAC Name: 8-fluoro-N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]quinoline-2-carboxamide Traditional Name: 8-fluoro-N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]quinaldamide Formula: C24H27FN3O+ MolecularWeight: 392.489083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC[NH+](C1)CCC2=CC=CC=C2)C(=O)C3=NC4=C(C=CC=C4F)C=C3

Isomeric SMILES

CN([C@H]1CCC[NH+](C1)CCC2=CC=CC=C2)C(=O)C3=NC4=C(C=CC=C4F)C=C3

InChI

InChI=1S/C24H26FN3O/c1-27(24(29)22-13-12-19-9-5-11-21(25)23(19)26-22)20-10-6-15-28(17-20)16-14-18-7-3-2-4-8-18/h2-5,7-9,11-13,20H,6,10,14-17H2,1H3/p+1/t20-/m0/s1