2-[2-(4-ethanoylpiperazin-1-ium-1-yl)ethyliminomethyl]-5-thiophen-2-yl-cyclohexane-1,3-dione

Systemtic Name: 2-[2-(4-ethanoylpiperazin-1-ium-1-yl)ethyliminomethyl]-5-thiophen-2-yl-cyclohexane-1,3-dione Openeye Name: 2-[2-(4-acetylpiperazin-1-ium-1-yl)ethyliminomethyl]-5-(2-thienyl)cyclohexane-1,3-dione CAS Name: 2-[2-(4-acetyl-1-piperazin-1-iumyl)ethyliminomethyl]-5-thiophen-2-ylcyclohexane-1,3-dione IUPAC Name: 2-[2-(4-acetylpiperazin-1-ium-1-yl)ethyliminomethyl]-5-thiophen-2-ylcyclohexane-1,3-dione Traditional Name: 2-[2-(4-acetylpiperazin-1-ium-1-yl)ethyliminomethyl]-5-(2-thienyl)cyclohexane-1,3-quinone Formula: C19H26N3O3S+ MolecularWeight: 376.49304

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CCN=CC2C(=O)CC(CC2=O)C3=CC=CS3

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CCN=CC2C(=O)CC(CC2=O)C3=CC=CS3

InChI

InChI=1S/C19H25N3O3S/c1-14(23)22-8-6-21(7-9-22)5-4-20-13-16-17(24)11-15(12-18(16)25)19-3-2-10-26-19/h2-3,10,13,15-16H,4-9,11-12H2,1H3/p+1