8-[(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-8-azaspiro[4.4]nonane-7,9-dione

Systemtic Name: 8-[(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-8-azaspiro[4.4]nonane-7,9-dione Openeye Name: 8-[[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]methyl]-8-azaspiro[4.4]nonane-7,9-dione CAS Name: 8-[[4-(2-naphthalenylsulfonyl)-1-piperazin-1-iumyl]methyl]-8-azaspiro[4.4]nonane-7,9-dione IUPAC Name: 8-[(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-8-azaspiro[4.4]nonane-7,9-dione Traditional Name: 8-[[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]methyl]-8-azaspiro[4.4]nonane-7,9-quinone Formula: C23H28N3O4S+ MolecularWeight: 442.55112

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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=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CCC2(C1)CC(=O)N(C2=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C23H27N3O4S/c27-21-16-23(9-3-4-10-23)22(28)26(21)17-24-11-13-25(14-12-24)31(29,30)20-8-7-18-5-1-2-6-19(18)15-20/h1-2,5-8,15H,3-4,9-14,16-17H2/p+1