3-(azepan-1-ium-1-yl)-N-[3,4-bis(fluoranyl)phenyl]propanamide

Systemtic Name: 3-(azepan-1-ium-1-yl)-N-[3,4-bis(fluoranyl)phenyl]propanamide Openeye Name: 3-(azepan-1-ium-1-yl)-N-(3,4-difluorophenyl)propanamide CAS Name: 3-(1-azepan-1-iumyl)-N-(3,4-difluorophenyl)propanamide IUPAC Name: 3-(azepan-1-ium-1-yl)-N-(3,4-difluorophenyl)propanamide Traditional Name: 3-(azepan-1-ium-1-yl)-N-(3,4-difluorophenyl)propionamide Formula: C15H21F2N2O+ MolecularWeight: 283.336846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20F2N2O/c16-13-6-5-12(11-14(13)17)18-15(20)7-10-19-8-3-1-2-4-9-19/h5-6,11H,1-4,7-10H2,(H,18,20)/p+1