(1R)-1-(4-ethoxy-3-methoxy-phenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: (1R)-1-(4-ethoxy-3-methoxy-phenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: (1R)-1-(4-ethoxy-3-methoxy-phenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: (1R)-1-(4-ethoxy-3-methoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: (1R)-1-(4-ethoxy-3-methoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: (1R)-1-(4-ethoxy-3-methoxy-phenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C20H26NO4+ MolecularWeight: 344.42474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2C3=CC(=C(C=C3CC[NH2+]2)OC)OC)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)[C@@H]2C3=CC(=C(C=C3CC[NH2+]2)OC)OC)OC

InChI

InChI=1S/C20H25NO4/c1-5-25-16-7-6-14(11-17(16)22-2)20-15-12-19(24-4)18(23-3)10-13(15)8-9-21-20/h6-7,10-12,20-21H,5,8-9H2,1-4H3/p+1/t20-/m1/s1