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

Systemtic Name: 1-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]-4-[(2-nitrophenyl)methyl]piperazin-4-ium Openeye Name: 1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-4-[(2-nitrophenyl)methyl]piperazin-4-ium CAS Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]-4-[(2-nitrophenyl)methyl]piperazin-4-ium IUPAC Name: 1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-4-[(2-nitrophenyl)methyl]piperazin-4-ium Traditional Name: 1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-4-(2-nitrobenzyl)piperazin-4-ium Formula: C17H18ClF3N4O2+2 MolecularWeight: 402.79863

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2[N+](=O)[O-])C3=C(C=C(C=[NH+]3)C(F)(F)F)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2[N+](=O)[O-])C3=C(C=C(C=[NH+]3)C(F)(F)F)Cl

InChI

InChI=1S/C17H16ClF3N4O2/c18-14-9-13(17(19,20)21)10-22-16(14)24-7-5-23(6-8-24)11-12-3-1-2-4-15(12)25(26)27/h1-4,9-10H,5-8,11H2/p+2