[3-fluoranyl-4-[(2-oxidanylideneazepan-1-yl)methyl]phenyl]methylazanium

Systemtic Name: [3-fluoranyl-4-[(2-oxidanylideneazepan-1-yl)methyl]phenyl]methylazanium Openeye Name: [3-fluoro-4-[(2-oxoazepan-1-yl)methyl]phenyl]methylammonium CAS Name: [3-fluoro-4-[(2-oxo-1-azepanyl)methyl]phenyl]methylammonium IUPAC Name: [3-fluoro-4-[(2-oxoazepan-1-yl)methyl]phenyl]methylazanium Traditional Name: [3-fluoro-4-[(2-ketoazepan-1-yl)methyl]benzyl]ammonium Formula: C14H20FN2O+ MolecularWeight: 251.319803

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CC2=C(C=C(C=C2)C[NH3+])F

Isomeric SMILES

C1CCC(=O)N(CC1)CC2=C(C=C(C=C2)C[NH3+])F

InChI

InChI=1S/C14H19FN2O/c15-13-8-11(9-16)5-6-12(13)10-17-7-3-1-2-4-14(17)18/h5-6,8H,1-4,7,9-10,16H2/p+1