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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O2/c1-19(2)16(13-6-4-3-5-7-13)12-18-11-14-8-9-15(20)10-17(14)21/h3-10,16,18,20-21H,11-12H2,1-2H3/p+1/t16-/m1/s1