(3S,4S)-3-tert-butyl-6-methoxy-4-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: (3S,4S)-3-tert-butyl-6-methoxy-4-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: (3S,4S)-3-tert-butyl-6-methoxy-4-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: (3S,4S)-3-tert-butyl-6-methoxy-4-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: (3S,4S)-3-tert-butyl-6-methoxy-4-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: (3S,4S)-3-tert-butyl-6-methoxy-4-phenyl-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)C1C(C2=C(C[NH2+]1)C=CC(=C2)OC)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)[C@@H]1[C@H](C2=C(C[NH2+]1)C=CC(=C2)OC)C3=CC=CC=C3

InChI

InChI=1S/C20H25NO/c1-20(2,3)19-18(14-8-6-5-7-9-14)17-12-16(22-4)11-10-15(17)13-21-19/h5-12,18-19,21H,13H2,1-4H3/p+1/t18-,19-/m0/s1