2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-5-(trifluoromethyl)aniline

Systemtic Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-5-(trifluoromethyl)aniline Openeye Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-5-(trifluoromethyl)aniline CAS Name: 2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-5-(trifluoromethyl)aniline IUPAC Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-5-(trifluoromethyl)aniline Traditional Name: [2-(4-pyridin-1-ium-2-ylpiperazino)-5-(trifluoromethyl)phenyl]amine Formula: C16H18F3N4+ MolecularWeight: 323.33613

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)N)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)N)C3=CC=CC=[NH+]3

InChI

InChI=1S/C16H17F3N4/c17-16(18,19)12-4-5-14(13(20)11-12)22-7-9-23(10-8-22)15-3-1-2-6-21-15/h1-6,11H,7-10,20H2/p+1