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

Systemtic Name: 2-[[2-(4-hexanoylpiperazin-1-ium-1-yl)ethylamino]methylidene]-5-thiophen-2-yl-cyclohexane-1,3-dione Openeye Name: 2-[[2-(4-hexanoylpiperazin-1-ium-1-yl)ethylamino]methylene]-5-(2-thienyl)cyclohexane-1,3-dione CAS Name: 2-[[2-[4-(1-oxohexyl)-1-piperazin-1-iumyl]ethylamino]methylidene]-5-thiophen-2-ylcyclohexane-1,3-dione IUPAC Name: 2-[[2-(4-hexanoylpiperazin-1-ium-1-yl)ethylamino]methylidene]-5-thiophen-2-ylcyclohexane-1,3-dione Traditional Name: 2-[[2-(4-caproylpiperazin-1-ium-1-yl)ethylamino]methylene]-5-(2-thienyl)cyclohexane-1,3-quinone Formula: C23H34N3O3S+ MolecularWeight: 432.59936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1CC[NH+](CC1)CCNC=C2C(=O)CC(CC2=O)C3=CC=CS3

Isomeric SMILES

CCCCCC(=O)N1CC[NH+](CC1)CCNC=C2C(=O)CC(CC2=O)C3=CC=CS3

InChI

InChI=1S/C23H33N3O3S/c1-2-3-4-7-23(29)26-12-10-25(11-13-26)9-8-24-17-19-20(27)15-18(16-21(19)28)22-6-5-14-30-22/h5-6,14,17-18,24H,2-4,7-13,15-16H2,1H3/p+1