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

Systemtic Name: 3-[3,4-bis(oxidanyl)phenyl]-1,2-dimethyl-isoquinolin-2-ium-6,7-diol Openeye Name: 3-(3,4-dihydroxyphenyl)-1,2-dimethyl-isoquinolin-2-ium-6,7-diol CAS Name: 3-(3,4-dihydroxyphenyl)-1,2-dimethylisoquinolin-2-ium-6,7-diol IUPAC Name: 3-(3,4-dihydroxyphenyl)-1,2-dimethylisoquinolin-2-ium-6,7-diol Traditional Name: 3-(3,4-dihydroxyphenyl)-1,2-dimethyl-isoquinolin-2-ium-6,7-diol Formula: C17H16NO4+ MolecularWeight: 298.31324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=CC2=CC(=C(C=C12)O)O)C3=CC(=C(C=C3)O)O)C

Isomeric SMILES

CC1=[N+](C(=CC2=CC(=C(C=C12)O)O)C3=CC(=C(C=C3)O)O)C

InChI

InChI=1S/C17H15NO4/c1-9-12-8-17(22)16(21)7-11(12)5-13(18(9)2)10-3-4-14(19)15(20)6-10/h3-8H,1-2H3,(H3,19,20,21,22)/p+1