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

Systemtic Name: 1-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]-4-(2-nitrophenyl)sulfonyl-piperazine Openeye Name: 1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-4-(2-nitrophenyl)sulfonyl-piperazine CAS Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]-4-(2-nitrophenyl)sulfonylpiperazine IUPAC Name: 1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-4-(2-nitrophenyl)sulfonylpiperazine Traditional Name: 1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-4-(2-nitrophenyl)sulfonyl-piperazine Formula: C16H15ClF3N4O4S+ MolecularWeight: 451.82791

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=[NH+]2)C(F)(F)F)Cl)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=[NH+]2)C(F)(F)F)Cl)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C16H14ClF3N4O4S/c17-12-9-11(16(18,19)20)10-21-15(12)22-5-7-23(8-6-22)29(27,28)14-4-2-1-3-13(14)24(25)26/h1-4,9-10H,5-8H2/p+1