1-(3-piperazin-4-ium-1-ylsulfonylphenyl)ethanone

Systemtic Name: 1-(3-piperazin-4-ium-1-ylsulfonylphenyl)ethanone Openeye Name: 1-(3-piperazin-4-ium-1-ylsulfonylphenyl)ethanone CAS Name: 1-[3-(1-piperazin-4-iumylsulfonyl)phenyl]ethanone IUPAC Name: 1-(3-piperazin-4-ium-1-ylsulfonylphenyl)ethanone Traditional Name: 1-(3-piperazin-4-ium-1-ylsulfonylphenyl)ethanone Formula: C12H17N2O3S+ MolecularWeight: 269.33998

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CC[NH2+]CC2

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CC[NH2+]CC2

InChI

InChI=1S/C12H16N2O3S/c1-10(15)11-3-2-4-12(9-11)18(16,17)14-7-5-13-6-8-14/h2-4,9,13H,5-8H2,1H3/p+1