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

Systemtic Name: 8-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-8-azaspiro[4.4]nonane-7,9-dione Openeye Name: 8-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-8-azaspiro[4.4]nonane-7,9-dione CAS Name: 8-[[4-(4-ethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-8-azaspiro[4.4]nonane-7,9-dione IUPAC Name: 8-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-8-azaspiro[4.4]nonane-7,9-dione Traditional Name: 8-[(4-p-phenetylsulfonylpiperazin-1-ium-1-yl)methyl]-8-azaspiro[4.4]nonane-7,9-quinone Formula: C21H30N3O5S+ MolecularWeight: 436.545

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CN3C(=O)CC4(C3=O)CCCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CN3C(=O)CC4(C3=O)CCCC4

InChI

InChI=1S/C21H29N3O5S/c1-2-29-17-5-7-18(8-6-17)30(27,28)23-13-11-22(12-14-23)16-24-19(25)15-21(20(24)26)9-3-4-10-21/h5-8H,2-4,9-16H2,1H3/p+1