8-[[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]methyl]-8-azaspiro[4.4]nonane-7,9-dione

Systemtic Name: 8-[[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]methyl]-8-azaspiro[4.4]nonane-7,9-dione Openeye Name: 8-[[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]methyl]-8-azaspiro[4.4]nonane-7,9-dione CAS Name: 8-[[4-[(5-bromo-2-thiophenyl)sulfonyl]-1-piperazin-1-iumyl]methyl]-8-azaspiro[4.4]nonane-7,9-dione IUPAC Name: 8-[[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]methyl]-8-azaspiro[4.4]nonane-7,9-dione Traditional Name: 8-[[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]methyl]-8-azaspiro[4.4]nonane-7,9-quinone Formula: C17H23BrN3O4S2+ MolecularWeight: 477.41622

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C1)CC(=O)N(C2=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(S4)Br

Isomeric SMILES

C1CCC2(C1)CC(=O)N(C2=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(S4)Br

InChI

InChI=1S/C17H22BrN3O4S2/c18-13-3-4-15(26-13)27(24,25)20-9-7-19(8-10-20)12-21-14(22)11-17(16(21)23)5-1-2-6-17/h3-4H,1-2,5-12H2/p+1