[(1S,2R)-1-azanyl-1-(4-fluorophenyl)propan-2-yl]-butyl-ethyl-azanium

Systemtic Name: [(1S,2R)-1-azanyl-1-(4-fluorophenyl)propan-2-yl]-butyl-ethyl-azanium Openeye Name: [(1R,2S)-2-amino-2-(4-fluorophenyl)-1-methyl-ethyl]-butyl-ethyl-ammonium CAS Name: [(1S,2R)-1-amino-1-(4-fluorophenyl)propan-2-yl]-butyl-ethylammonium IUPAC Name: [(1S,2R)-1-amino-1-(4-fluorophenyl)propan-2-yl]-butyl-ethylazanium Traditional Name: [(1R,2S)-2-amino-2-(4-fluorophenyl)-1-methyl-ethyl]-butyl-ethyl-ammonium Formula: C15H26FN2+ MolecularWeight: 253.378743

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CC)C(C)C(C1=CC=C(C=C1)F)N

Isomeric SMILES

CCCC[NH+](CC)[C@H](C)[C@H](C1=CC=C(C=C1)F)N

InChI

InChI=1S/C15H25FN2/c1-4-6-11-18(5-2)12(3)15(17)13-7-9-14(16)10-8-13/h7-10,12,15H,4-6,11,17H2,1-3H3/p+1/t12-,15-/m1/s1