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

Systemtic Name: 8-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-8-azaspiro[4.4]nonane-7,9-dione Openeye Name: 8-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-8-azaspiro[4.4]nonane-7,9-dione CAS Name: 8-[[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-8-azaspiro[4.4]nonane-7,9-dione IUPAC Name: 8-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-8-azaspiro[4.4]nonane-7,9-dione Traditional Name: 8-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-8-azaspiro[4.4]nonane-7,9-quinone Formula: C20H28N3O3+ MolecularWeight: 358.45462

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)CN3C(=O)CC4(C3=O)CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)CN3C(=O)CC4(C3=O)CCCC4

InChI

InChI=1S/C20H27N3O3/c1-26-17-6-4-16(5-7-17)22-12-10-21(11-13-22)15-23-18(24)14-20(19(23)25)8-2-3-9-20/h4-7H,2-3,8-15H2,1H3/p+1