N-[(4-fluorophenyl)methyl]-2-[5-methoxy-4-oxidanylidene-2-(piperidin-1-ium-1-ylmethyl)pyridin-1-yl]ethanamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-2-[5-methoxy-4-oxidanylidene-2-(piperidin-1-ium-1-ylmethyl)pyridin-1-yl]ethanamide Openeye Name: N-[(4-fluorophenyl)methyl]-2-[5-methoxy-4-oxo-2-(piperidin-1-ium-1-ylmethyl)-1-pyridyl]acetamide CAS Name: N-[(4-fluorophenyl)methyl]-2-[5-methoxy-4-oxo-2-(1-piperidin-1-iumylmethyl)-1-pyridinyl]acetamide IUPAC Name: N-[(4-fluorophenyl)methyl]-2-[5-methoxy-4-oxo-2-(piperidin-1-ium-1-ylmethyl)pyridin-1-yl]acetamide Traditional Name: N-(4-fluorobenzyl)-2-[4-keto-5-methoxy-2-(piperidin-1-ium-1-ylmethyl)-1-pyridyl]acetamide Formula: C21H27FN3O3+ MolecularWeight: 388.455783

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN(C(=CC1=O)C[NH+]2CCCCC2)CC(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

COC1=CN(C(=CC1=O)C[NH+]2CCCCC2)CC(=O)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C21H26FN3O3/c1-28-20-14-25(15-21(27)23-12-16-5-7-17(22)8-6-16)18(11-19(20)26)13-24-9-3-2-4-10-24/h5-8,11,14H,2-4,9-10,12-13,15H2,1H3,(H,23,27)/p+1