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

Systemtic Name: [(1S)-2-[[3,4-bis(oxidanyl)phenyl]methylamino]-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[(3,4-dihydroxyphenyl)methylamino]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[(3,4-dihydroxyphenyl)methylamino]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[(3,4-dihydroxyphenyl)methylamino]-1-phenylethyl]-dimethylazanium Traditional Name: dimethyl-[(1S)-1-phenyl-2-(protocatechuylamino)ethyl]ammonium Formula: C17H23N2O2+ MolecularWeight: 287.37672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O2/c1-19(2)15(14-6-4-3-5-7-14)12-18-11-13-8-9-16(20)17(21)10-13/h3-10,15,18,20-21H,11-12H2,1-2H3/p+1/t15-/m1/s1