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

Systemtic Name: 8-methoxy-1-[(3-methoxy-4-oxidanyl-phenyl)methyl]-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol chloride Openeye Name: 1-[(4-hydroxy-3-methoxy-phenyl)methyl]-8-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol chloride CAS Name: 1-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol chloride IUPAC Name: 1-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol chloride Traditional Name: 8-methoxy-2-methyl-1-vanillyl-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol chloride Formula: C19H24ClNO5 MolecularWeight: 381.85056

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC2=CC(=C(C(=C2C1CC3=CC(=C(C=C3)O)OC)OC)O)O.[Cl-]

Isomeric SMILES

C[NH+]1CCC2=CC(=C(C(=C2C1CC3=CC(=C(C=C3)O)OC)OC)O)O.[Cl-]

InChI

InChI=1S/C19H23NO5.ClH/c1-20-7-6-12-10-15(22)18(23)19(25-3)17(12)13(20)8-11-4-5-14(21)16(9-11)24-2;/h4-5,9-10,13,21-23H,6-8H2,1-3H3;1H