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

Systemtic Name: (1R)-1-(4-tert-butylphenyl)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: (1R)-1-(4-tert-butylphenyl)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: (1R)-1-(4-tert-butylphenyl)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: (1R)-1-(4-tert-butylphenyl)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: (1R)-1-(4-tert-butylphenyl)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C20H26NO+ MolecularWeight: 296.42654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2C3=C(CC[NH2+]2)C=C(C=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO/c1-20(2,3)16-7-5-14(6-8-16)19-18-10-9-17(22-4)13-15(18)11-12-21-19/h5-10,13,19,21H,11-12H2,1-4H3/p+1/t19-/m1/s1