1-[5-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]carbonylthiophen-2-yl]ethanone

Systemtic Name: 1-[5-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]carbonylthiophen-2-yl]ethanone Openeye Name: 1-[5-[4-(3-thienylmethyl)piperazin-4-ium-1-carbonyl]-2-thienyl]ethanone CAS Name: 1-[5-[oxo-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methyl]-2-thiophenyl]ethanone IUPAC Name: 1-[5-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbonyl]thiophen-2-yl]ethanone Traditional Name: 1-[5-[4-(3-thenyl)piperazin-4-ium-1-carbonyl]-2-thienyl]ethanone Formula: C16H19N2O2S2+ MolecularWeight: 335.46426

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(S1)C(=O)N2CC[NH+](CC2)CC3=CSC=C3

Isomeric SMILES

CC(=O)C1=CC=C(S1)C(=O)N2CC[NH+](CC2)CC3=CSC=C3

InChI

InChI=1S/C16H18N2O2S2/c1-12(19)14-2-3-15(22-14)16(20)18-7-5-17(6-8-18)10-13-4-9-21-11-13/h2-4,9,11H,5-8,10H2,1H3/p+1