8-[[4-(2,3-dimethyl-5-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]quinoline

Systemtic Name: 8-[[4-(2,3-dimethyl-5-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]quinoline Openeye Name: 8-[[4-(2,3-dimethyl-5-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]quinoline CAS Name: 8-[[4-(2,3-dimethyl-5-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]quinoline IUPAC Name: 8-[[4-(2,3-dimethyl-5-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]quinoline Traditional Name: 8-[[4-(2,3-dimethyl-5-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]quinoline Formula: C22H25N4O4S+ MolecularWeight: 441.5233

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O4S/c1-16-13-20(26(27)28)14-21(17(16)2)31(29,30)25-11-9-24(10-12-25)15-19-6-3-5-18-7-4-8-23-22(18)19/h3-8,13-14H,9-12,15H2,1-2H3/p+1