[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-(3-chloranyl-4-fluoranyl-phenyl)azanium

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl]-(3-chloranyl-4-fluoranyl-phenyl)azanium Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl]-(3-chloro-4-fluoro-phenyl)ammonium CAS Name: [2-(1-azepanyl)-2-oxoethyl]-(3-chloro-4-fluorophenyl)ammonium IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl]-(3-chloro-4-fluorophenyl)azanium Traditional Name: [2-(azepan-1-yl)-2-keto-ethyl]-(3-chloro-4-fluoro-phenyl)ammonium Formula: C14H19ClFN2O+ MolecularWeight: 285.764863

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C[NH2+]C2=CC(=C(C=C2)F)Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)C[NH2+]C2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C14H18ClFN2O/c15-12-9-11(5-6-13(12)16)17-10-14(19)18-7-3-1-2-4-8-18/h5-6,9,17H,1-4,7-8,10H2/p+1