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

Systemtic Name: [1-[3,4-bis(oxidanyl)phenyl]-1-oxidanylidene-propan-2-yl]-dimethyl-(3-phenylpropyl)azanium Openeye Name: [2-(3,4-dihydroxyphenyl)-1-methyl-2-oxo-ethyl]-dimethyl-(3-phenylpropyl)ammonium CAS Name: [1-(3,4-dihydroxyphenyl)-1-oxopropan-2-yl]-dimethyl-(3-phenylpropyl)ammonium IUPAC Name: [1-(3,4-dihydroxyphenyl)-1-oxopropan-2-yl]-dimethyl-(3-phenylpropyl)azanium Traditional Name: [2-(3,4-dihydroxyphenyl)-2-keto-1-methyl-ethyl]-dimethyl-(3-phenylpropyl)ammonium Formula: C20H26NO3+ MolecularWeight: 328.42534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC(=C(C=C1)O)O)[N+](C)(C)CCCC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)C1=CC(=C(C=C1)O)O)[N+](C)(C)CCCC2=CC=CC=C2

InChI

InChI=1S/C20H25NO3/c1-15(20(24)17-11-12-18(22)19(23)14-17)21(2,3)13-7-10-16-8-5-4-6-9-16/h4-6,8-9,11-12,14-15H,7,10,13H2,1-3H3,(H-,22,23,24)/p+1