[3,4-bis(oxidanyl)phenyl]methyl-[(1S)-1-pyridin-2-ylethyl]azanium

Systemtic Name: [3,4-bis(oxidanyl)phenyl]methyl-[(1S)-1-pyridin-2-ylethyl]azanium Openeye Name: (3,4-dihydroxyphenyl)methyl-[(1S)-1-(2-pyridyl)ethyl]ammonium CAS Name: (3,4-dihydroxyphenyl)methyl-[(1S)-1-(2-pyridinyl)ethyl]ammonium IUPAC Name: (3,4-dihydroxyphenyl)methyl-[(1S)-1-pyridin-2-ylethyl]azanium Traditional Name: protocatechuyl-[(1S)-1-(2-pyridyl)ethyl]ammonium Formula: C14H17N2O2+ MolecularWeight: 245.29698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=N1)[NH2+]CC2=CC(=C(C=C2)O)O

Isomeric SMILES

C[C@@H](C1=CC=CC=N1)[NH2+]CC2=CC(=C(C=C2)O)O

InChI

InChI=1S/C14H16N2O2/c1-10(12-4-2-3-7-15-12)16-9-11-5-6-13(17)14(18)8-11/h2-8,10,16-18H,9H2,1H3/p+1/t10-/m0/s1