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

Systemtic Name: 2-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyridin-1-ium-3-amine Openeye Name: 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]pyridin-1-ium-3-amine CAS Name: 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]-3-pyridin-1-iumamine IUPAC Name: 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyridin-1-ium-3-amine Traditional Name: [2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazino]pyridin-1-ium-3-yl]amine Formula: C15H16ClF3N5+ MolecularWeight: 358.76925

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=CC=[NH+]2)N)C3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

C1CN(CCN1C2=C(C=CC=[NH+]2)N)C3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C15H15ClF3N5/c16-11-8-10(15(17,18)19)9-22-13(11)23-4-6-24(7-5-23)14-12(20)2-1-3-21-14/h1-3,8-9H,4-7,20H2/p+1