1-[2,5-bis(oxidanyl)phenyl]-2-piperidin-1-ium-1-yl-ethanone

Systemtic Name: 1-[2,5-bis(oxidanyl)phenyl]-2-piperidin-1-ium-1-yl-ethanone Openeye Name: 1-(2,5-dihydroxyphenyl)-2-piperidin-1-ium-1-yl-ethanone CAS Name: 1-(2,5-dihydroxyphenyl)-2-(1-piperidin-1-iumyl)ethanone IUPAC Name: 1-(2,5-dihydroxyphenyl)-2-piperidin-1-ium-1-ylethanone Traditional Name: 1-(2,5-dihydroxyphenyl)-2-piperidin-1-ium-1-yl-ethanone Formula: C13H18NO3+ MolecularWeight: 236.28692

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(=O)C2=C(C=CC(=C2)O)O

Isomeric SMILES

C1CC[NH+](CC1)CC(=O)C2=C(C=CC(=C2)O)O

InChI

InChI=1S/C13H17NO3/c15-10-4-5-12(16)11(8-10)13(17)9-14-6-2-1-3-7-14/h4-5,8,15-16H,1-3,6-7,9H2/p+1