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

Systemtic Name: 1-[[3,4-bis(oxidanyl)phenyl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol chloride Openeye Name: 1-[(3,4-dihydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol chloride CAS Name: 1-[(3,4-dihydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol chloride IUPAC Name: 1-[(3,4-dihydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol chloride Traditional Name: 1-protocatechuyl-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol chloride Formula: C16H18ClNO4 MolecularWeight: 323.77142

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]C(C2=CC(=C(C=C21)O)O)CC3=CC(=C(C=C3)O)O.[Cl-]

Isomeric SMILES

C1C[NH2+]C(C2=CC(=C(C=C21)O)O)CC3=CC(=C(C=C3)O)O.[Cl-]

InChI

InChI=1S/C16H17NO4.ClH/c18-13-2-1-9(6-14(13)19)5-12-11-8-16(21)15(20)7-10(11)3-4-17-12;/h1-2,6-8,12,17-21H,3-5H2;1H