1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-4,6-diol chloride

Systemtic Name: 1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-4,6-diol chloride Openeye Name: 1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-4,6-diol chloride CAS Name: 1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-4,6-diol chloride IUPAC Name: 1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-4,6-diol chloride Traditional Name: 1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-4,6-diol chloride Formula: C18H22ClNO5 MolecularWeight: 367.82398

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2C3=C(C=C(C=C3)O)C(C[NH2+]2)O.[Cl-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2C3=C(C=C(C=C3)O)C(C[NH2+]2)O.[Cl-]

InChI

InChI=1S/C18H21NO5.ClH/c1-22-15-6-10(7-16(23-2)18(15)24-3)17-12-5-4-11(20)8-13(12)14(21)9-19-17;/h4-8,14,17,19-21H,9H2,1-3H3;1H