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

Systemtic Name: [3,4-bis(oxidanyl)phenyl]methyl-[(2S)-2-phenylpropyl]azanium Openeye Name: (3,4-dihydroxyphenyl)methyl-[(2S)-2-phenylpropyl]ammonium CAS Name: (3,4-dihydroxyphenyl)methyl-[(2S)-2-phenylpropyl]ammonium IUPAC Name: (3,4-dihydroxyphenyl)methyl-[(2S)-2-phenylpropyl]azanium Traditional Name: [(2S)-2-phenylpropyl]-protocatechuyl-ammonium Formula: C16H20NO2+ MolecularWeight: 258.3355

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH2+]CC1=CC(=C(C=C1)O)O)C2=CC=CC=C2

Isomeric SMILES

C[C@H](C[NH2+]CC1=CC(=C(C=C1)O)O)C2=CC=CC=C2

InChI

InChI=1S/C16H19NO2/c1-12(14-5-3-2-4-6-14)10-17-11-13-7-8-15(18)16(19)9-13/h2-9,12,17-19H,10-11H2,1H3/p+1/t12-/m1/s1