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

Systemtic Name: 2-[2-(azepan-1-ium-1-ylmethyl)-5-methoxy-4-oxidanylidene-pyridin-1-yl]-N-[(4-fluorophenyl)methyl]ethanamide Openeye Name: 2-[2-(azepan-1-ium-1-ylmethyl)-5-methoxy-4-oxo-1-pyridyl]-N-[(4-fluorophenyl)methyl]acetamide CAS Name: 2-[2-(1-azepan-1-iumylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-[(4-fluorophenyl)methyl]acetamide IUPAC Name: 2-[2-(azepan-1-ium-1-ylmethyl)-5-methoxy-4-oxopyridin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide Traditional Name: 2-[2-(azepan-1-ium-1-ylmethyl)-4-keto-5-methoxy-1-pyridyl]-N-(4-fluorobenzyl)acetamide Formula: C22H29FN3O3+ MolecularWeight: 402.482363

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN(C(=CC1=O)C[NH+]2CCCCCC2)CC(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

COC1=CN(C(=CC1=O)C[NH+]2CCCCCC2)CC(=O)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C22H28FN3O3/c1-29-21-15-26(16-22(28)24-13-17-6-8-18(23)9-7-17)19(12-20(21)27)14-25-10-4-2-3-5-11-25/h6-9,12,15H,2-5,10-11,13-14,16H2,1H3,(H,24,28)/p+1