[7-piperazin-4-ium-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-2-yl]azanium dichloride

Systemtic Name: [7-piperazin-4-ium-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-2-yl]azanium dichloride Openeye Name: [7-piperazin-4-ium-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-2-yl]ammonium dichloride CAS Name: [7-(1-piperazin-4-iumyl)-5-(trifluoromethyl)-1,8-naphthyridin-2-yl]ammonium dichloride IUPAC Name: [7-piperazin-4-ium-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-2-yl]azanium dichloride Traditional Name: [7-piperazin-4-ium-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-2-yl]ammonium dichloride Formula: C13H16Cl2F3N5 MolecularWeight: 370.20085

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=NC3=C(C=CC(=N3)[NH3+])C(=C2)C(F)(F)F.[Cl-].[Cl-]

Isomeric SMILES

C1CN(CC[NH2+]1)C2=NC3=C(C=CC(=N3)[NH3+])C(=C2)C(F)(F)F.[Cl-].[Cl-]

InChI

InChI=1S/C13H14F3N5.2ClH/c14-13(15,16)9-7-11(21-5-3-18-4-6-21)20-12-8(9)1-2-10(17)19-12;;/h1-2,7,18H,3-6H2,(H2,17,19,20);2*1H