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

Systemtic Name: 1-[4-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[4-[4-(2-furylmethyl)piperazin-4-ium-1-yl]sulfonylphenyl]ethanone CAS Name: 1-[4-[[4-(2-furanylmethyl)-1-piperazin-4-iumyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[4-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[4-[4-(2-furfuryl)piperazin-4-ium-1-yl]sulfonylphenyl]ethanone Formula: C17H21N2O4S+ MolecularWeight: 349.42464

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CO3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CO3

InChI

InChI=1S/C17H20N2O4S/c1-14(20)15-4-6-17(7-5-15)24(21,22)19-10-8-18(9-11-19)13-16-3-2-12-23-16/h2-7,12H,8-11,13H2,1H3/p+1