1-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]-4-(4-nitrophenyl)piperazine

Systemtic Name: 1-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]-4-(4-nitrophenyl)piperazine Openeye Name: 1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-4-(4-nitrophenyl)piperazine CAS Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]-4-(4-nitrophenyl)piperazine IUPAC Name: 1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-4-(4-nitrophenyl)piperazine Traditional Name: 1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-4-(4-nitrophenyl)piperazine Formula: C16H15ClF3N4O2+ MolecularWeight: 387.76411

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClF3N4O2/c17-14-9-11(16(18,19)20)10-21-15(14)23-7-5-22(6-8-23)12-1-3-13(4-2-12)24(25)26/h1-4,9-10H,5-8H2/p+1