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

Systemtic Name: 8-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-8-azaspiro[4.4]nonane-7,9-dione Openeye Name: 8-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-8-azaspiro[4.4]nonane-7,9-dione CAS Name: 8-[[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]methyl]-8-azaspiro[4.4]nonane-7,9-dione IUPAC Name: 8-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-8-azaspiro[4.4]nonane-7,9-dione Traditional Name: 8-[(4-o-phenetylpiperazin-1-ium-1-yl)methyl]-8-azaspiro[4.4]nonane-7,9-quinone Formula: C21H30N3O3+ MolecularWeight: 372.4812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CN3C(=O)CC4(C3=O)CCCC4

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CN3C(=O)CC4(C3=O)CCCC4

InChI

InChI=1S/C21H29N3O3/c1-2-27-18-8-4-3-7-17(18)23-13-11-22(12-14-23)16-24-19(25)15-21(20(24)26)9-5-6-10-21/h3-4,7-8H,2,5-6,9-16H2,1H3/p+1