2-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]-5-(trifluoromethyl)aniline

Systemtic Name: 2-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]-5-(trifluoromethyl)aniline Openeye Name: 2-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]-5-(trifluoromethyl)aniline CAS Name: 2-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]-5-(trifluoromethyl)aniline IUPAC Name: 2-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]-5-(trifluoromethyl)aniline Traditional Name: [2-[4-(2-thenyl)piperazin-4-ium-1-yl]-5-(trifluoromethyl)phenyl]amine Formula: C16H19F3N3S+ MolecularWeight: 342.40237

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CS2)C3=C(C=C(C=C3)C(F)(F)F)N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CS2)C3=C(C=C(C=C3)C(F)(F)F)N

InChI

InChI=1S/C16H18F3N3S/c17-16(18,19)12-3-4-15(14(20)10-12)22-7-5-21(6-8-22)11-13-2-1-9-23-13/h1-4,9-10H,5-8,11,20H2/p+1