1-[3,4-bis(oxidanyl)phenyl]-2-piperazin-4-ium-1-yl-ethanone

Systemtic Name: 1-[3,4-bis(oxidanyl)phenyl]-2-piperazin-4-ium-1-yl-ethanone Openeye Name: 1-(3,4-dihydroxyphenyl)-2-piperazin-4-ium-1-yl-ethanone CAS Name: 1-(3,4-dihydroxyphenyl)-2-(1-piperazin-4-iumyl)ethanone IUPAC Name: 1-(3,4-dihydroxyphenyl)-2-piperazin-4-ium-1-ylethanone Traditional Name: 1-(3,4-dihydroxyphenyl)-2-piperazin-4-ium-1-yl-ethanone Formula: C12H17N2O3+ MolecularWeight: 237.27498

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)CC(=O)C2=CC(=C(C=C2)O)O

Isomeric SMILES

C1CN(CC[NH2+]1)CC(=O)C2=CC(=C(C=C2)O)O

InChI

InChI=1S/C12H16N2O3/c15-10-2-1-9(7-11(10)16)12(17)8-14-5-3-13-4-6-14/h1-2,7,13,15-16H,3-6,8H2/p+1