3-fluoranyl-4-methoxy-N-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridin-3-yl]methyl]benzamide

Systemtic Name: 3-fluoranyl-4-methoxy-N-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridin-3-yl]methyl]benzamide Openeye Name: 3-fluoro-4-methoxy-N-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-pyridyl]methyl]benzamide CAS Name: 3-fluoro-4-methoxy-N-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-pyridinyl]methyl]benzamide IUPAC Name: 3-fluoro-4-methoxy-N-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridin-3-yl]methyl]benzamide Traditional Name: 3-fluoro-4-methoxy-N-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-pyridyl]methyl]benzamide Formula: C20H26FN4O2+ MolecularWeight: 373.444443

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C2=C(C=CC=N2)CNC(=O)C3=CC(=C(C=C3)OC)F

Isomeric SMILES

C[NH+]1CCCN(CC1)C2=C(C=CC=N2)CNC(=O)C3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C20H25FN4O2/c1-24-9-4-10-25(12-11-24)19-16(5-3-8-22-19)14-23-20(26)15-6-7-18(27-2)17(21)13-15/h3,5-8,13H,4,9-12,14H2,1-2H3,(H,23,26)/p+1