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

Systemtic Name: 1-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-4,6-diol chloride Openeye Name: 1-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-4,6-diol chloride CAS Name: 1-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-4,6-diol chloride IUPAC Name: 1-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-4,6-diol chloride Traditional Name: 1-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-4,6-diol chloride Formula: C17H20ClNO4 MolecularWeight: 337.798

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C3=C(C=C(C=C3)O)C(C[NH2+]2)O)OC.[Cl-]

Isomeric SMILES

COC1=C(C=C(C=C1)C2C3=C(C=C(C=C3)O)C(C[NH2+]2)O)OC.[Cl-]

InChI

InChI=1S/C17H19NO4.ClH/c1-21-15-6-3-10(7-16(15)22-2)17-12-5-4-11(19)8-13(12)14(20)9-18-17;/h3-8,14,17-20H,9H2,1-2H3;1H