3-[4-(phenylmethyl)piperazin-4-ium-1-yl]-5-(trifluoromethyl)pyridin-2-amine

Systemtic Name: 3-[4-(phenylmethyl)piperazin-4-ium-1-yl]-5-(trifluoromethyl)pyridin-2-amine Openeye Name: 3-(4-benzylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)pyridin-2-amine CAS Name: 3-[4-(phenylmethyl)-1-piperazin-4-iumyl]-5-(trifluoromethyl)-2-pyridinamine IUPAC Name: 3-(4-benzylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)pyridin-2-amine Traditional Name: [3-(4-benzylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)-2-pyridyl]amine Formula: C17H20F3N4+ MolecularWeight: 337.36271

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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