8-[[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-8-azaspiro[4.4]nonane-7,9-dione

Systemtic Name: 8-[[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-8-azaspiro[4.4]nonane-7,9-dione Openeye Name: 8-[[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-8-azaspiro[4.4]nonane-7,9-dione CAS Name: 8-[[4-(3-bromophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-8-azaspiro[4.4]nonane-7,9-dione IUPAC Name: 8-[[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-8-azaspiro[4.4]nonane-7,9-dione Traditional Name: 8-[[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-8-azaspiro[4.4]nonane-7,9-quinone Formula: C19H25BrN3O4S+ MolecularWeight: 471.3885

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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(=CC=C4)Br

Isomeric SMILES

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

InChI

InChI=1S/C19H24BrN3O4S/c20-15-4-3-5-16(12-15)28(26,27)22-10-8-21(9-11-22)14-23-17(24)13-19(18(23)25)6-1-2-7-19/h3-5,12H,1-2,6-11,13-14H2/p+1