[1-[3,4-bis(oxidanyl)phenyl]-1-oxidanylidene-propan-2-yl]-dimethyl-phenethyl-azanium

Systemtic Name: [1-[3,4-bis(oxidanyl)phenyl]-1-oxidanylidene-propan-2-yl]-dimethyl-phenethyl-azanium Openeye Name: [2-(3,4-dihydroxyphenyl)-1-methyl-2-oxo-ethyl]-dimethyl-phenethyl-ammonium CAS Name: [1-(3,4-dihydroxyphenyl)-1-oxopropan-2-yl]-dimethyl-phenethylammonium IUPAC Name: [1-(3,4-dihydroxyphenyl)-1-oxopropan-2-yl]-dimethyl-phenethylazanium Traditional Name: [2-(3,4-dihydroxyphenyl)-2-keto-1-methyl-ethyl]-dimethyl-phenethyl-ammonium Formula: C19H24NO3+ MolecularWeight: 314.39876

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC(=C(C=C1)O)O)[N+](C)(C)CCC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)C1=CC(=C(C=C1)O)O)[N+](C)(C)CCC2=CC=CC=C2

InChI

InChI=1S/C19H23NO3/c1-14(19(23)16-9-10-17(21)18(22)13-16)20(2,3)12-11-15-7-5-4-6-8-15/h4-10,13-14H,11-12H2,1-3H3,(H-,21,22,23)/p+1