3-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-3-azaspiro[4.5]decane-2,4-dione

Systemtic Name: 3-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-3-azaspiro[4.5]decane-2,4-dione Openeye Name: 3-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-3-azaspiro[4.5]decane-2,4-dione CAS Name: 3-[[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]methyl]-3-azaspiro[4.5]decane-2,4-dione IUPAC Name: 3-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-3-azaspiro[4.5]decane-2,4-dione Traditional Name: 3-[(4-o-phenetylpiperazin-1-ium-1-yl)methyl]-3-azaspiro[4.5]decane-2,4-quinone Formula: C22H32N3O3+ MolecularWeight: 386.50778

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CN3C(=O)CC4(C3=O)CCCCC4

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CN3C(=O)CC4(C3=O)CCCCC4

InChI

InChI=1S/C22H31N3O3/c1-2-28-19-9-5-4-8-18(19)24-14-12-23(13-15-24)17-25-20(26)16-22(21(25)27)10-6-3-7-11-22/h4-5,8-9H,2-3,6-7,10-17H2,1H3/p+1