[4-(azepan-1-yl)-3-fluoranyl-phenyl]methylazanium

Systemtic Name: [4-(azepan-1-yl)-3-fluoranyl-phenyl]methylazanium Openeye Name: [4-(azepan-1-yl)-3-fluoro-phenyl]methylammonium CAS Name: [4-(1-azepanyl)-3-fluorophenyl]methylammonium IUPAC Name: [4-(azepan-1-yl)-3-fluorophenyl]methylazanium Traditional Name: [4-(azepan-1-yl)-3-fluoro-benzyl]ammonium Formula: C13H20FN2+ MolecularWeight: 223.309703

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C[NH3+])F

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C[NH3+])F

InChI

InChI=1S/C13H19FN2/c14-12-9-11(10-15)5-6-13(12)16-7-3-1-2-4-8-16/h5-6,9H,1-4,7-8,10,15H2/p+1