6-chloranyl-4-piperazin-4-ium-1-yl-2-(trifluoromethyl)quinoline

Systemtic Name: 6-chloranyl-4-piperazin-4-ium-1-yl-2-(trifluoromethyl)quinoline Openeye Name: 6-chloro-4-piperazin-4-ium-1-yl-2-(trifluoromethyl)quinoline CAS Name: 6-chloro-4-(1-piperazin-4-iumyl)-2-(trifluoromethyl)quinoline IUPAC Name: 6-chloro-4-piperazin-4-ium-1-yl-2-(trifluoromethyl)quinoline Traditional Name: 6-chloro-4-piperazin-4-ium-1-yl-2-(trifluoromethyl)quinoline Formula: C14H14ClF3N3+ MolecularWeight: 316.72927

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=CC(=NC3=C2C=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH2+]1)C2=CC(=NC3=C2C=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C14H13ClF3N3/c15-9-1-2-11-10(7-9)12(21-5-3-19-4-6-21)8-13(20-11)14(16,17)18/h1-2,7-8,19H,3-6H2/p+1