(1R)-1-(4-tert-butylphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: (1R)-1-(4-tert-butylphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: (1R)-1-(4-tert-butylphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: (1R)-1-(4-tert-butylphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: (1R)-1-(4-tert-butylphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: (1R)-1-(4-tert-butylphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C21H28NO2+ MolecularWeight: 326.45252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO2/c1-21(2,3)16-8-6-14(7-9-16)20-17-13-19(24-5)18(23-4)12-15(17)10-11-22-20/h6-9,12-13,20,22H,10-11H2,1-5H3/p+1/t20-/m1/s1