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

Systemtic Name: 4-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]aniline Openeye Name: 4-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]aniline CAS Name: 4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]aniline IUPAC Name: 4-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]aniline Traditional Name: [4-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]phenyl]amine Formula: C16H17ClF3N4+ MolecularWeight: 357.78119

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClF3N4/c17-14-9-11(16(18,19)20)10-22-15(14)24-7-5-23(6-8-24)13-3-1-12(21)2-4-13/h1-4,9-10H,5-8,21H2/p+1