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

Systemtic Name: [3,4-bis(oxidanyl)phenyl]methyl-[(2S)-pentan-2-yl]azanium Openeye Name: (3,4-dihydroxyphenyl)methyl-[(1S)-1-methylbutyl]ammonium CAS Name: (3,4-dihydroxyphenyl)methyl-[(2S)-pentan-2-yl]ammonium IUPAC Name: (3,4-dihydroxyphenyl)methyl-[(2S)-pentan-2-yl]azanium Traditional Name: [(1S)-1-methylbutyl]-protocatechuyl-ammonium Formula: C12H20NO2+ MolecularWeight: 210.2927

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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