(1R,3R)-1,3-dimethyl-6-phenylmethoxy-2-(phenylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-8-ol

Systemtic Name: (1R,3R)-1,3-dimethyl-6-phenylmethoxy-2-(phenylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-8-ol Openeye Name: (1R,3R)-2-benzyl-6-benzyloxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-2-ium-8-ol CAS Name: (1R,3R)-1,3-dimethyl-6-phenylmethoxy-2-(phenylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-8-ol IUPAC Name: (1R,3R)-2-benzyl-1,3-dimethyl-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-8-ol Traditional Name: (1R,3R)-6-benzoxy-2-benzyl-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-2-ium-8-ol Formula: C25H28NO2+ MolecularWeight: 374.49532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC(=CC(=C2C([NH+]1CC3=CC=CC=C3)C)O)OCC4=CC=CC=C4

Isomeric SMILES

C[C@@H]1CC2=CC(=CC(=C2[C@H]([NH+]1CC3=CC=CC=C3)C)O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H27NO2/c1-18-13-22-14-23(28-17-21-11-7-4-8-12-21)15-24(27)25(22)19(2)26(18)16-20-9-5-3-6-10-20/h3-12,14-15,18-19,27H,13,16-17H2,1-2H3/p+1/t18-,19-/m1/s1