[2,4-bis(oxidanyl)phenyl]methyl-[(2S)-pentan-2-yl]azanium

Systemtic Name: [2,4-bis(oxidanyl)phenyl]methyl-[(2S)-pentan-2-yl]azanium Openeye Name: (2,4-dihydroxyphenyl)methyl-[(1S)-1-methylbutyl]ammonium CAS Name: (2,4-dihydroxyphenyl)methyl-[(2S)-pentan-2-yl]ammonium IUPAC Name: (2,4-dihydroxyphenyl)methyl-[(2S)-pentan-2-yl]azanium Traditional Name: (2,4-dihydroxybenzyl)-[(1S)-1-methylbutyl]ammonium Formula: C12H20NO2+ MolecularWeight: 210.2927

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19NO2/c1-3-4-9(2)13-8-10-5-6-11(14)7-12(10)15/h5-7,9,13-15H,3-4,8H2,1-2H3/p+1/t9-/m0/s1