2-[[2-(4-ethanoylpiperazin-1-ium-1-yl)ethylamino]methylidene]-5-(4-methoxyphenyl)cyclohexane-1,3-dione

Systemtic Name: 2-[[2-(4-ethanoylpiperazin-1-ium-1-yl)ethylamino]methylidene]-5-(4-methoxyphenyl)cyclohexane-1,3-dione Openeye Name: 2-[[2-(4-acetylpiperazin-1-ium-1-yl)ethylamino]methylene]-5-(4-methoxyphenyl)cyclohexane-1,3-dione CAS Name: 2-[[2-(4-acetyl-1-piperazin-1-iumyl)ethylamino]methylidene]-5-(4-methoxyphenyl)cyclohexane-1,3-dione IUPAC Name: 2-[[2-(4-acetylpiperazin-1-ium-1-yl)ethylamino]methylidene]-5-(4-methoxyphenyl)cyclohexane-1,3-dione Traditional Name: 2-[[2-(4-acetylpiperazin-1-ium-1-yl)ethylamino]methylene]-5-(4-methoxyphenyl)cyclohexane-1,3-quinone Formula: C22H30N3O4+ MolecularWeight: 400.4913

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CCNC=C2C(=O)CC(CC2=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CCNC=C2C(=O)CC(CC2=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H29N3O4/c1-16(26)25-11-9-24(10-12-25)8-7-23-15-20-21(27)13-18(14-22(20)28)17-3-5-19(29-2)6-4-17/h3-6,15,18,23H,7-14H2,1-2H3/p+1