1-[[3,4-bis(oxidanyl)phenyl]methyl]-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-6,7-diol bromide

Systemtic Name: 1-[[3,4-bis(oxidanyl)phenyl]methyl]-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-6,7-diol bromide Openeye Name: 1-[(3,4-dihydroxyphenyl)methyl]-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-6,7-diol bromide CAS Name: 1-[(3,4-dihydroxyphenyl)methyl]-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-6,7-diol bromide IUPAC Name: 1-[(3,4-dihydroxyphenyl)methyl]-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-6,7-diol bromide Traditional Name: 2,2-dimethyl-1-protocatechuyl-3,4-dihydro-1H-isoquinolin-2-ium-6,7-diol bromide Formula: C18H22BrNO4 MolecularWeight: 396.27558

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)O)O)O)O)C.[Br-]

Isomeric SMILES

C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)O)O)O)O)C.[Br-]

InChI

InChI=1S/C18H21NO4.BrH/c1-19(2)6-5-12-9-17(22)18(23)10-13(12)14(19)7-11-3-4-15(20)16(21)8-11;/h3-4,8-10,14H,5-7H2,1-2H3,(H3-,20,21,22,23);1H