1-(4-ethylpiperazin-4-ium-1-yl)-4-thiophen-2-yl-butane-1,4-dione

Systemtic Name: 1-(4-ethylpiperazin-4-ium-1-yl)-4-thiophen-2-yl-butane-1,4-dione Openeye Name: 1-(4-ethylpiperazin-4-ium-1-yl)-4-(2-thienyl)butane-1,4-dione CAS Name: 1-(4-ethyl-1-piperazin-4-iumyl)-4-thiophen-2-ylbutane-1,4-dione IUPAC Name: 1-(4-ethylpiperazin-4-ium-1-yl)-4-thiophen-2-ylbutane-1,4-dione Traditional Name: 1-(4-ethylpiperazin-4-ium-1-yl)-4-(2-thienyl)butane-1,4-dione Formula: C14H21N2O2S+ MolecularWeight: 281.39374

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)CCC(=O)C2=CC=CS2

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)CCC(=O)C2=CC=CS2

InChI

InChI=1S/C14H20N2O2S/c1-2-15-7-9-16(10-8-15)14(18)6-5-12(17)13-4-3-11-19-13/h3-4,11H,2,5-10H2,1H3/p+1