2-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]-5-(trifluoromethyl)aniline

Systemtic Name: 2-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]-5-(trifluoromethyl)aniline Openeye Name: 2-[4-(3-pyridylmethyl)piperazin-4-ium-1-yl]-5-(trifluoromethyl)aniline CAS Name: 2-[4-(3-pyridinylmethyl)-1-piperazin-4-iumyl]-5-(trifluoromethyl)aniline IUPAC Name: 2-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]-5-(trifluoromethyl)aniline Traditional Name: [2-[4-(3-pyridylmethyl)piperazin-4-ium-1-yl]-5-(trifluoromethyl)phenyl]amine Formula: C17H20F3N4+ MolecularWeight: 337.36271

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CN=CC=C2)C3=C(C=C(C=C3)C(F)(F)F)N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CN=CC=C2)C3=C(C=C(C=C3)C(F)(F)F)N

InChI

InChI=1S/C17H19F3N4/c18-17(19,20)14-3-4-16(15(21)10-14)24-8-6-23(7-9-24)12-13-2-1-5-22-11-13/h1-5,10-11H,6-9,12,21H2/p+1