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

Systemtic Name: 8-[[4-(3-ethanoylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-8-azaspiro[4.4]nonane-7,9-dione Openeye Name: 8-[[4-(3-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-8-azaspiro[4.4]nonane-7,9-dione CAS Name: 8-[[4-(3-acetylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-8-azaspiro[4.4]nonane-7,9-dione IUPAC Name: 8-[[4-(3-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-8-azaspiro[4.4]nonane-7,9-dione Traditional Name: 8-[[4-(3-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-8-azaspiro[4.4]nonane-7,9-quinone Formula: C21H28N3O5S+ MolecularWeight: 434.52912

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CC[NH+](CC2)CN3C(=O)CC4(C3=O)CCCC4

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CC[NH+](CC2)CN3C(=O)CC4(C3=O)CCCC4

InChI

InChI=1S/C21H27N3O5S/c1-16(25)17-5-4-6-18(13-17)30(28,29)23-11-9-22(10-12-23)15-24-19(26)14-21(20(24)27)7-2-3-8-21/h4-6,13H,2-3,7-12,14-15H2,1H3/p+1