[(1R)-2-[[3,4-bis(oxidanyl)phenyl]methylamino]-1-thiophen-2-yl-ethyl]-dimethyl-azanium

Systemtic Name: [(1R)-2-[[3,4-bis(oxidanyl)phenyl]methylamino]-1-thiophen-2-yl-ethyl]-dimethyl-azanium Openeye Name: [(1R)-2-[(3,4-dihydroxyphenyl)methylamino]-1-(2-thienyl)ethyl]-dimethyl-ammonium CAS Name: [(1R)-2-[(3,4-dihydroxyphenyl)methylamino]-1-thiophen-2-ylethyl]-dimethylammonium IUPAC Name: [(1R)-2-[(3,4-dihydroxyphenyl)methylamino]-1-thiophen-2-ylethyl]-dimethylazanium Traditional Name: dimethyl-[(1R)-2-(protocatechuylamino)-1-(2-thienyl)ethyl]ammonium Formula: C15H21N2O2S+ MolecularWeight: 293.40444

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNCC1=CC(=C(C=C1)O)O)C2=CC=CS2

Isomeric SMILES

C[NH+](C)[C@H](CNCC1=CC(=C(C=C1)O)O)C2=CC=CS2

InChI

InChI=1S/C15H20N2O2S/c1-17(2)12(15-4-3-7-20-15)10-16-9-11-5-6-13(18)14(19)8-11/h3-8,12,16,18-19H,9-10H2,1-2H3/p+1/t12-/m1/s1