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

Systemtic Name: 2-[2-(4-propanoylpiperazin-1-ium-1-yl)ethyliminomethyl]-5-thiophen-2-yl-cyclohexane-1,3-dione Openeye Name: 2-[2-(4-propanoylpiperazin-1-ium-1-yl)ethyliminomethyl]-5-(2-thienyl)cyclohexane-1,3-dione CAS Name: 2-[2-[4-(1-oxopropyl)-1-piperazin-1-iumyl]ethyliminomethyl]-5-thiophen-2-ylcyclohexane-1,3-dione IUPAC Name: 2-[2-(4-propanoylpiperazin-1-ium-1-yl)ethyliminomethyl]-5-thiophen-2-ylcyclohexane-1,3-dione Traditional Name: 2-[2-(4-propionylpiperazin-1-ium-1-yl)ethyliminomethyl]-5-(2-thienyl)cyclohexane-1,3-quinone Formula: C20H28N3O3S+ MolecularWeight: 390.51962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O3S/c1-2-20(26)23-9-7-22(8-10-23)6-5-21-14-16-17(24)12-15(13-18(16)25)19-4-3-11-27-19/h3-4,11,14-16H,2,5-10,12-13H2,1H3/p+1