1-[(1S,3R)-1-tert-butyl-1,2,3,4-tetrahydroisoquinolin-3-yl]propan-2-one hydrochloride

Systemtic Name: 1-[(1S,3R)-1-tert-butyl-1,2,3,4-tetrahydroisoquinolin-3-yl]propan-2-one hydrochloride Openeye Name: 1-[(1S,3R)-1-tert-butyl-1,2,3,4-tetrahydroisoquinolin-3-yl]propan-2-one hydrochloride CAS Name: 1-[(1S,3R)-1-tert-butyl-1,2,3,4-tetrahydroisoquinolin-3-yl]-2-propanone hydrochloride IUPAC Name: 1-[(1S,3R)-1-tert-butyl-1,2,3,4-tetrahydroisoquinolin-3-yl]propan-2-one hydrochloride Traditional Name: 1-[(1S,3R)-1-tert-butyl-1,2,3,4-tetrahydroisoquinolin-3-yl]acetone hydrochloride Formula: C16H24ClNO MolecularWeight: 281.82086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1CC2=CC=CC=C2C(N1)C(C)(C)C.Cl

Isomeric SMILES

CC(=O)C[C@H]1CC2=CC=CC=C2[C@@H](N1)C(C)(C)C.Cl

InChI

InChI=1S/C16H23NO.ClH/c1-11(18)9-13-10-12-7-5-6-8-14(12)15(17-13)16(2,3)4;/h5-8,13,15,17H,9-10H2,1-4H3;1H/t13-,15+;/m0./s1