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

Systemtic Name: 3-[[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]methyl]-3-azaspiro[4.5]decane-2,4-dione Openeye Name: 3-[[4-(4-acetylphenyl)piperazin-1-ium-1-yl]methyl]-3-azaspiro[4.5]decane-2,4-dione CAS Name: 3-[[4-(4-acetylphenyl)-1-piperazin-1-iumyl]methyl]-3-azaspiro[4.5]decane-2,4-dione IUPAC Name: 3-[[4-(4-acetylphenyl)piperazin-1-ium-1-yl]methyl]-3-azaspiro[4.5]decane-2,4-dione Traditional Name: 3-[[4-(4-acetylphenyl)piperazin-1-ium-1-yl]methyl]-3-azaspiro[4.5]decane-2,4-quinone Formula: C22H30N3O3+ MolecularWeight: 384.4919

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CN3C(=O)CC4(C3=O)CCCCC4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CN3C(=O)CC4(C3=O)CCCCC4

InChI

InChI=1S/C22H29N3O3/c1-17(26)18-5-7-19(8-6-18)24-13-11-23(12-14-24)16-25-20(27)15-22(21(25)28)9-3-2-4-10-22/h5-8H,2-4,9-16H2,1H3/p+1