2-fluoranyl-N-[1-[2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]benzamide

Systemtic Name: 2-fluoranyl-N-[1-[2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]benzamide Openeye Name: 2-fluoro-N-[1-[2-oxo-2-(p-tolylmethylamino)ethyl]piperidin-1-ium-4-yl]benzamide CAS Name: 2-fluoro-N-[1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-4-piperidin-1-iumyl]benzamide IUPAC Name: 2-fluoro-N-[1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]piperidin-1-ium-4-yl]benzamide Traditional Name: 2-fluoro-N-[1-[2-keto-2-[(4-methylbenzyl)amino]ethyl]piperidin-1-ium-4-yl]benzamide Formula: C22H27FN3O2+ MolecularWeight: 384.467083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C[NH+]2CCC(CC2)NC(=O)C3=CC=CC=C3F

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C[NH+]2CCC(CC2)NC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C22H26FN3O2/c1-16-6-8-17(9-7-16)14-24-21(27)15-26-12-10-18(11-13-26)25-22(28)19-4-2-3-5-20(19)23/h2-9,18H,10-15H2,1H3,(H,24,27)(H,25,28)/p+1