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

Systemtic Name: N-[[1-[(2-fluorophenyl)methyl]piperidin-1-ium-4-yl]methyl]-N-(2-methoxyethyl)-2-methyl-quinoline-4-carboxamide Openeye Name: N-[[1-[(2-fluorophenyl)methyl]piperidin-1-ium-4-yl]methyl]-N-(2-methoxyethyl)-2-methyl-quinoline-4-carboxamide CAS Name: N-[[1-[(2-fluorophenyl)methyl]-4-piperidin-1-iumyl]methyl]-N-(2-methoxyethyl)-2-methyl-4-quinolinecarboxamide IUPAC Name: N-[[1-[(2-fluorophenyl)methyl]piperidin-1-ium-4-yl]methyl]-N-(2-methoxyethyl)-2-methylquinoline-4-carboxamide Traditional Name: N-[[1-(2-fluorobenzyl)piperidin-1-ium-4-yl]methyl]-N-(2-methoxyethyl)-2-methyl-cinchoninamide Formula: C27H33FN3O2+ MolecularWeight: 450.568223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C(=O)N(CCOC)CC3CC[NH+](CC3)CC4=CC=CC=C4F

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)N(CCOC)CC3CC[NH+](CC3)CC4=CC=CC=C4F

InChI

InChI=1S/C27H32FN3O2/c1-20-17-24(23-8-4-6-10-26(23)29-20)27(32)31(15-16-33-2)18-21-11-13-30(14-12-21)19-22-7-3-5-9-25(22)28/h3-10,17,21H,11-16,18-19H2,1-2H3/p+1