2-[2-(4-fluorophenyl)carbonyl-1-[1-(6-oxidanylidene-1H-pyridin-3-yl)cyclohexyl]piperidin-1-ium-1-yl]ethanamide

Systemtic Name: 2-[2-(4-fluorophenyl)carbonyl-1-[1-(6-oxidanylidene-1H-pyridin-3-yl)cyclohexyl]piperidin-1-ium-1-yl]ethanamide Openeye Name: 2-[2-(4-fluorobenzoyl)-1-[1-(6-oxo-1H-pyridin-3-yl)cyclohexyl]piperidin-1-ium-1-yl]acetamide CAS Name: 2-[2-[(4-fluorophenyl)-oxomethyl]-1-[1-(6-oxo-1H-pyridin-3-yl)cyclohexyl]-1-piperidin-1-iumyl]acetamide IUPAC Name: 2-[2-(4-fluorobenzoyl)-1-[1-(6-oxo-1H-pyridin-3-yl)cyclohexyl]piperidin-1-ium-1-yl]acetamide Traditional Name: 2-[2-(4-fluorobenzoyl)-1-[1-(6-keto-1H-pyridin-3-yl)cyclohexyl]piperidin-1-ium-1-yl]acetamide Formula: C25H31FN3O3+ MolecularWeight: 440.530343

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C2=CNC(=O)C=C2)[N+]3(CCCCC3C(=O)C4=CC=C(C=C4)F)CC(=O)N

Isomeric SMILES

C1CCC(CC1)(C2=CNC(=O)C=C2)[N+]3(CCCCC3C(=O)C4=CC=C(C=C4)F)CC(=O)N

InChI

InChI=1S/C25H30FN3O3/c26-20-10-7-18(8-11-20)24(32)21-6-2-5-15-29(21,17-22(27)30)25(13-3-1-4-14-25)19-9-12-23(31)28-16-19/h7-12,16,21H,1-6,13-15,17H2,(H2-,27,28,30,31)/p+1