[(1S)-2-azaniumyl-1-(4-fluorophenyl)ethyl]-butyl-methyl-azanium

Systemtic Name: [(1S)-2-azaniumyl-1-(4-fluorophenyl)ethyl]-butyl-methyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-(4-fluorophenyl)ethyl]-butyl-methyl-ammonium CAS Name: [(1S)-2-ammonio-1-(4-fluorophenyl)ethyl]-butyl-methylammonium IUPAC Name: [(1S)-2-azaniumyl-1-(4-fluorophenyl)ethyl]-butyl-methylazanium Traditional Name: [(1S)-2-ammonio-1-(4-fluorophenyl)ethyl]-butyl-methyl-ammonium Formula: C13H23FN2+2 MolecularWeight: 226.333523

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](C)C(C[NH3+])C1=CC=C(C=C1)F

Isomeric SMILES

CCCC[NH+](C)[C@H](C[NH3+])C1=CC=C(C=C1)F

InChI

InChI=1S/C13H21FN2/c1-3-4-9-16(2)13(10-15)11-5-7-12(14)8-6-11/h5-8,13H,3-4,9-10,15H2,1-2H3/p+2/t13-/m1/s1