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

Systemtic Name: 3-chloranyl-2-piperazin-4-ium-1-yl-5-(trifluoromethyl)pyridin-1-ium-1-amine Openeye Name: 3-chloro-2-piperazin-4-ium-1-yl-5-(trifluoromethyl)pyridin-1-ium-1-amine CAS Name: 3-chloro-2-(1-piperazin-4-iumyl)-5-(trifluoromethyl)-1-pyridin-1-iumamine IUPAC Name: 3-chloro-2-piperazin-4-ium-1-yl-5-(trifluoromethyl)pyridin-1-ium-1-amine Traditional Name: [3-chloro-2-piperazin-4-ium-1-yl-5-(trifluoromethyl)pyridin-1-ium-1-yl]amine Formula: C10H14ClF3N4+2 MolecularWeight: 282.69317

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=C(C=C(C=[N+]2N)C(F)(F)F)Cl

Isomeric SMILES

C1CN(CC[NH2+]1)C2=C(C=C(C=[N+]2N)C(F)(F)F)Cl

InChI

InChI=1S/C10H13ClF3N4/c11-8-5-7(10(12,13)14)6-18(15)9(8)17-3-1-16-2-4-17/h5-6,16H,1-4,15H2/q+1/p+1