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

Systemtic Name: [3,4-bis(oxidanyl)phenyl]methyl-[(1S)-1-thiophen-2-ylethyl]azanium Openeye Name: (3,4-dihydroxyphenyl)methyl-[(1S)-1-(2-thienyl)ethyl]ammonium CAS Name: (3,4-dihydroxyphenyl)methyl-[(1S)-1-thiophen-2-ylethyl]ammonium IUPAC Name: (3,4-dihydroxyphenyl)methyl-[(1S)-1-thiophen-2-ylethyl]azanium Traditional Name: protocatechuyl-[(1S)-1-(2-thienyl)ethyl]ammonium Formula: C13H16NO2S+ MolecularWeight: 250.33664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)[NH2+]CC2=CC(=C(C=C2)O)O

Isomeric SMILES

C[C@@H](C1=CC=CS1)[NH2+]CC2=CC(=C(C=C2)O)O

InChI

InChI=1S/C13H15NO2S/c1-9(13-3-2-6-17-13)14-8-10-4-5-11(15)12(16)7-10/h2-7,9,14-16H,8H2,1H3/p+1/t9-/m0/s1