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

Systemtic Name: 8-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]-8-azaspiro[4.4]nonane-7,9-dione Openeye Name: 8-[[4-(o-tolyl)piperazin-1-ium-1-yl]methyl]-8-azaspiro[4.4]nonane-7,9-dione CAS Name: 8-[[4-(2-methylphenyl)-1-piperazin-1-iumyl]methyl]-8-azaspiro[4.4]nonane-7,9-dione IUPAC Name: 8-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]-8-azaspiro[4.4]nonane-7,9-dione Traditional Name: 8-[[4-(o-tolyl)piperazin-1-ium-1-yl]methyl]-8-azaspiro[4.4]nonane-7,9-quinone Formula: C20H28N3O2+ MolecularWeight: 342.45522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CN3C(=O)CC4(C3=O)CCCC4

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CN3C(=O)CC4(C3=O)CCCC4

InChI

InChI=1S/C20H27N3O2/c1-16-6-2-3-7-17(16)22-12-10-21(11-13-22)15-23-18(24)14-20(19(23)25)8-4-5-9-20/h2-3,6-7H,4-5,8-15H2,1H3/p+1