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

Systemtic Name: 8-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-8-azaspiro[4.4]nonane-7,9-dione Openeye Name: 8-[[4-(4-isopropylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-8-azaspiro[4.4]nonane-7,9-dione CAS Name: 8-[[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-8-azaspiro[4.4]nonane-7,9-dione IUPAC Name: 8-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-8-azaspiro[4.4]nonane-7,9-dione Traditional Name: 8-[(4-p-cumenylsulfonylpiperazin-1-ium-1-yl)methyl]-8-azaspiro[4.4]nonane-7,9-quinone Formula: C22H32N3O4S+ MolecularWeight: 434.57218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O4S/c1-17(2)18-5-7-19(8-6-18)30(28,29)24-13-11-23(12-14-24)16-25-20(26)15-22(21(25)27)9-3-4-10-22/h5-8,17H,3-4,9-16H2,1-2H3/p+1