2-[2-(azepan-1-ium-1-yl)ethanoylamino]-N-(4-fluorophenyl)ethanamide

Systemtic Name: 2-[2-(azepan-1-ium-1-yl)ethanoylamino]-N-(4-fluorophenyl)ethanamide Openeye Name: 2-[[2-(azepan-1-ium-1-yl)acetyl]amino]-N-(4-fluorophenyl)acetamide CAS Name: 2-[[2-(1-azepan-1-iumyl)-1-oxoethyl]amino]-N-(4-fluorophenyl)acetamide IUPAC Name: 2-[[2-(azepan-1-ium-1-yl)acetyl]amino]-N-(4-fluorophenyl)acetamide Traditional Name: 2-[[2-(azepan-1-ium-1-yl)acetyl]amino]-N-(4-fluorophenyl)acetamide Formula: C16H23FN3O2+ MolecularWeight: 308.371123

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(=O)NCC(=O)NC2=CC=C(C=C2)F

Isomeric SMILES

C1CCC[NH+](CC1)CC(=O)NCC(=O)NC2=CC=C(C=C2)F

InChI

InChI=1S/C16H22FN3O2/c17-13-5-7-14(8-6-13)19-15(21)11-18-16(22)12-20-9-3-1-2-4-10-20/h5-8H,1-4,9-12H2,(H,18,22)(H,19,21)/p+1