[(1R)-1-(3-chloranyl-4-fluoranyl-phenyl)ethyl]-pentan-3-yl-azanium

Systemtic Name: [(1R)-1-(3-chloranyl-4-fluoranyl-phenyl)ethyl]-pentan-3-yl-azanium Openeye Name: [(1R)-1-(3-chloro-4-fluoro-phenyl)ethyl]-(1-ethylpropyl)ammonium CAS Name: [(1R)-1-(3-chloro-4-fluorophenyl)ethyl]-pentan-3-ylammonium IUPAC Name: [(1R)-1-(3-chloro-4-fluorophenyl)ethyl]-pentan-3-ylazanium Traditional Name: [(1R)-1-(3-chloro-4-fluoro-phenyl)ethyl]-(1-ethylpropyl)ammonium Formula: C13H20ClFN+ MolecularWeight: 244.756003

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)[NH2+]C(C)C1=CC(=C(C=C1)F)Cl

Isomeric SMILES

CCC(CC)[NH2+][C@H](C)C1=CC(=C(C=C1)F)Cl

InChI

InChI=1S/C13H19ClFN/c1-4-11(5-2)16-9(3)10-6-7-13(15)12(14)8-10/h6-9,11,16H,4-5H2,1-3H3/p+1/t9-/m1/s1