[(1S)-1-(3-chloranyl-4-fluoranyl-phenyl)ethyl]-(3-cyclohexyloxypropyl)azanium

Systemtic Name: [(1S)-1-(3-chloranyl-4-fluoranyl-phenyl)ethyl]-(3-cyclohexyloxypropyl)azanium Openeye Name: [(1S)-1-(3-chloro-4-fluoro-phenyl)ethyl]-[3-(cyclohexoxy)propyl]ammonium CAS Name: [(1S)-1-(3-chloro-4-fluorophenyl)ethyl]-(3-cyclohexyloxypropyl)ammonium IUPAC Name: [(1S)-1-(3-chloro-4-fluorophenyl)ethyl]-(3-cyclohexyloxypropyl)azanium Traditional Name: [(1S)-1-(3-chloro-4-fluoro-phenyl)ethyl]-[3-(cyclohexoxy)propyl]ammonium Formula: C17H26ClFNO+ MolecularWeight: 314.845843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)F)Cl)[NH2+]CCCOC2CCCCC2

Isomeric SMILES

C[C@@H](C1=CC(=C(C=C1)F)Cl)[NH2+]CCCOC2CCCCC2

InChI

InChI=1S/C17H25ClFNO/c1-13(14-8-9-17(19)16(18)12-14)20-10-5-11-21-15-6-3-2-4-7-15/h8-9,12-13,15,20H,2-7,10-11H2,1H3/p+1/t13-/m0/s1