N-(3-azanyl-4-fluoranyl-phenyl)-4-(azepan-1-ium-1-yl)butanamide

Systemtic Name: N-(3-azanyl-4-fluoranyl-phenyl)-4-(azepan-1-ium-1-yl)butanamide Openeye Name: N-(3-amino-4-fluoro-phenyl)-4-(azepan-1-ium-1-yl)butanamide CAS Name: N-(3-amino-4-fluorophenyl)-4-(1-azepan-1-iumyl)butanamide IUPAC Name: N-(3-amino-4-fluorophenyl)-4-(azepan-1-ium-1-yl)butanamide Traditional Name: N-(3-amino-4-fluoro-phenyl)-4-(azepan-1-ium-1-yl)butyramide Formula: C16H25FN3O+ MolecularWeight: 294.387603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24FN3O/c17-14-8-7-13(12-15(14)18)19-16(21)6-5-11-20-9-3-1-2-4-10-20/h7-8,12H,1-6,9-11,18H2,(H,19,21)/p+1