[(2S)-2-[2,4-bis(oxidanyl)phenyl]-2-piperidin-1-ium-1-yl-ethyl]azanium

Systemtic Name: [(2S)-2-[2,4-bis(oxidanyl)phenyl]-2-piperidin-1-ium-1-yl-ethyl]azanium Openeye Name: [(2S)-2-(2,4-dihydroxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]ammonium CAS Name: [(2S)-2-(2,4-dihydroxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]ammonium IUPAC Name: [(2S)-2-(2,4-dihydroxyphenyl)-2-piperidin-1-ium-1-ylethyl]azanium Traditional Name: [(2S)-2-(2,4-dihydroxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]ammonium Formula: C13H22N2O2+2 MolecularWeight: 238.32598

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(C[NH3+])C2=C(C=C(C=C2)O)O

Isomeric SMILES

C1CC[NH+](CC1)[C@H](C[NH3+])C2=C(C=C(C=C2)O)O

InChI

InChI=1S/C13H20N2O2/c14-9-12(15-6-2-1-3-7-15)11-5-4-10(16)8-13(11)17/h4-5,8,12,16-17H,1-3,6-7,9,14H2/p+2/t12-/m1/s1