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

Systemtic Name: 1-(4-piperazin-4-ium-1-ylsulfonylphenyl)ethanone Openeye Name: 1-(4-piperazin-4-ium-1-ylsulfonylphenyl)ethanone CAS Name: 1-[4-(1-piperazin-4-iumylsulfonyl)phenyl]ethanone IUPAC Name: 1-(4-piperazin-4-ium-1-ylsulfonylphenyl)ethanone Traditional Name: 1-(4-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=C(C=C1)S(=O)(=O)N2CC[NH2+]CC2

Isomeric SMILES

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

InChI

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