[3,4-bis(oxidanyl)phenyl]methyl-[(2S)-2-ethylhexyl]azanium

Systemtic Name: [3,4-bis(oxidanyl)phenyl]methyl-[(2S)-2-ethylhexyl]azanium Openeye Name: (3,4-dihydroxyphenyl)methyl-[(2S)-2-ethylhexyl]ammonium CAS Name: (3,4-dihydroxyphenyl)methyl-[(2S)-2-ethylhexyl]ammonium IUPAC Name: (3,4-dihydroxyphenyl)methyl-[(2S)-2-ethylhexyl]azanium Traditional Name: [(2S)-2-ethylhexyl]-protocatechuyl-ammonium Formula: C15H26NO2+ MolecularWeight: 252.37244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C[NH2+]CC1=CC(=C(C=C1)O)O

Isomeric SMILES

CCCC[C@H](CC)C[NH2+]CC1=CC(=C(C=C1)O)O

InChI

InChI=1S/C15H25NO2/c1-3-5-6-12(4-2)10-16-11-13-7-8-14(17)15(18)9-13/h7-9,12,16-18H,3-6,10-11H2,1-2H3/p+1/t12-/m0/s1