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

Systemtic Name: 1-[3-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[3-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]sulfonylphenyl]ethanone CAS Name: 1-[3-[[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[3-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[3-[4-(2-thenyl)piperazin-4-ium-1-yl]sulfonylphenyl]ethanone Formula: C17H21N2O3S2+ MolecularWeight: 365.49024

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CS3

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CS3

InChI

InChI=1S/C17H20N2O3S2/c1-14(20)15-4-2-6-17(12-15)24(21,22)19-9-7-18(8-10-19)13-16-5-3-11-23-16/h2-6,11-12H,7-10,13H2,1H3/p+1