N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-1-ium-4-yl]methyl]-N-methyl-quinoline-3-carboxamide

Systemtic Name: N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-1-ium-4-yl]methyl]-N-methyl-quinoline-3-carboxamide Openeye Name: N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-1-ium-4-yl]methyl]-N-methyl-quinoline-3-carboxamide CAS Name: N-[[1-[2-(3-fluorophenyl)ethyl]-4-piperidin-1-iumyl]methyl]-N-methyl-3-quinolinecarboxamide IUPAC Name: N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-1-ium-4-yl]methyl]-N-methylquinoline-3-carboxamide Traditional Name: N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-1-ium-4-yl]methyl]-N-methyl-quinoline-3-carboxamide Formula: C25H29FN3O+ MolecularWeight: 406.515663

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1CC[NH+](CC1)CCC2=CC(=CC=C2)F)C(=O)C3=CC4=CC=CC=C4N=C3

Isomeric SMILES

CN(CC1CC[NH+](CC1)CCC2=CC(=CC=C2)F)C(=O)C3=CC4=CC=CC=C4N=C3

InChI

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