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

Systemtic Name: [3,4-bis(oxidanyl)phenyl]methyl-[(2S)-butan-2-yl]azanium Openeye Name: (3,4-dihydroxyphenyl)methyl-[(1S)-1-methylpropyl]ammonium CAS Name: [(2S)-butan-2-yl]-[(3,4-dihydroxyphenyl)methyl]ammonium IUPAC Name: [(2S)-butan-2-yl]-[(3,4-dihydroxyphenyl)methyl]azanium Traditional Name: [(1S)-1-methylpropyl]-protocatechuyl-ammonium Formula: C11H18NO2+ MolecularWeight: 196.26612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H17NO2/c1-3-8(2)12-7-9-4-5-10(13)11(14)6-9/h4-6,8,12-14H,3,7H2,1-2H3/p+1/t8-/m0/s1