3-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethyl]aniline

Systemtic Name: 3-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethyl]aniline Openeye Name: 3-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethyl]aniline CAS Name: 3-[2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]ethyl]aniline IUPAC Name: 3-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethyl]aniline Traditional Name: [3-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethyl]phenyl]amine Formula: C18H23FN3+ MolecularWeight: 300.393723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC(=CC=C2)N)C3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC(=CC=C2)N)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H22FN3/c19-16-4-6-18(7-5-16)22-12-10-21(11-13-22)9-8-15-2-1-3-17(20)14-15/h1-7,14H,8-13,20H2/p+1