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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C2=CC(=C(C=C2C=C1)O)O)CC3=CC(=C(C=C3)O)O

Isomeric SMILES

C[N+]1=C(C2=CC(=C(C=C2C=C1)O)O)CC3=CC(=C(C=C3)O)O

InChI

InChI=1S/C17H15NO4/c1-18-5-4-11-8-16(21)17(22)9-12(11)13(18)6-10-2-3-14(19)15(20)7-10/h2-5,7-9,19-20,22H,6H2,1H3/p+1