(3S)-1-[2-(2-fluoranylphenoxy)ethyl]-3-methyl-piperazin-4-ium

Systemtic Name: (3S)-1-[2-(2-fluoranylphenoxy)ethyl]-3-methyl-piperazin-4-ium Openeye Name: (3S)-1-[2-(2-fluorophenoxy)ethyl]-3-methyl-piperazin-4-ium CAS Name: (3S)-1-[2-(2-fluorophenoxy)ethyl]-3-methylpiperazin-4-ium IUPAC Name: (3S)-1-[2-(2-fluorophenoxy)ethyl]-3-methylpiperazin-4-ium Traditional Name: (3S)-1-[2-(2-fluorophenoxy)ethyl]-3-methyl-piperazin-4-ium Formula: C13H20FN2O+ MolecularWeight: 239.309103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC[NH2+]1)CCOC2=CC=CC=C2F

Isomeric SMILES

C[C@H]1CN(CC[NH2+]1)CCOC2=CC=CC=C2F

InChI

InChI=1S/C13H19FN2O/c1-11-10-16(7-6-15-11)8-9-17-13-5-3-2-4-12(13)14/h2-5,11,15H,6-10H2,1H3/p+1/t11-/m0/s1