[3,4-bis(oxidanyl)phenyl]methyl-(thiophen-2-ylmethyl)azanium

Systemtic Name: [3,4-bis(oxidanyl)phenyl]methyl-(thiophen-2-ylmethyl)azanium Openeye Name: (3,4-dihydroxyphenyl)methyl-(2-thienylmethyl)ammonium CAS Name: (3,4-dihydroxyphenyl)methyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: (3,4-dihydroxyphenyl)methyl-(thiophen-2-ylmethyl)azanium Traditional Name: protocatechuyl(2-thenyl)ammonium Formula: C12H14NO2S+ MolecularWeight: 236.31006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO2S/c14-11-4-3-9(6-12(11)15)7-13-8-10-2-1-5-16-10/h1-6,13-15H,7-8H2/p+1