8-[[4-(4-bromanyl-2-chloranyl-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]quinoline

Systemtic Name: 8-[[4-(4-bromanyl-2-chloranyl-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]quinoline Openeye Name: 8-[[4-(4-bromo-2-chloro-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]quinoline CAS Name: 8-[[4-(4-bromo-2-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]quinoline IUPAC Name: 8-[[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]quinoline Traditional Name: 8-[[4-(4-bromo-2-chloro-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]quinoline Formula: C20H20BrClN3O2S+ MolecularWeight: 481.8137

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC3=C2N=CC=C3)S(=O)(=O)C4=C(C=C(C=C4)Br)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC3=C2N=CC=C3)S(=O)(=O)C4=C(C=C(C=C4)Br)Cl

InChI

InChI=1S/C20H19BrClN3O2S/c21-17-6-7-19(18(22)13-17)28(26,27)25-11-9-24(10-12-25)14-16-4-1-3-15-5-2-8-23-20(15)16/h1-8,13H,9-12,14H2/p+1