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

Systemtic Name: 1-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]-4-(4-methyl-3-nitro-phenyl)sulfonyl-piperazine Openeye Name: 1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-4-(4-methyl-3-nitro-phenyl)sulfonyl-piperazine CAS Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]-4-(4-methyl-3-nitrophenyl)sulfonylpiperazine IUPAC Name: 1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-4-(4-methyl-3-nitrophenyl)sulfonylpiperazine Traditional Name: 1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-4-(4-methyl-3-nitro-phenyl)sulfonyl-piperazine Formula: C17H17ClF3N4O4S+ MolecularWeight: 465.85449

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=C(C=[NH+]3)C(F)(F)F)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=C(C=[NH+]3)C(F)(F)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H16ClF3N4O4S/c1-11-2-3-13(9-15(11)25(26)27)30(28,29)24-6-4-23(5-7-24)16-14(18)8-12(10-22-16)17(19,20)21/h2-3,8-10H,4-7H2,1H3/p+1