6-bromanyl-1-cyclobutyl-1-(4,4-diphenylheptyl)-7-methoxy-3,4-dihydro-2H-isoquinoline hydrochloride

Systemtic Name: 6-bromanyl-1-cyclobutyl-1-(4,4-diphenylheptyl)-7-methoxy-3,4-dihydro-2H-isoquinoline hydrochloride Openeye Name: 6-bromo-1-cyclobutyl-1-(4,4-diphenylheptyl)-7-methoxy-3,4-dihydro-2H-isoquinoline hydrochloride CAS Name: 6-bromo-1-cyclobutyl-1-(4,4-diphenylheptyl)-7-methoxy-3,4-dihydro-2H-isoquinoline hydrochloride IUPAC Name: 6-bromo-1-cyclobutyl-1-(4,4-diphenylheptyl)-7-methoxy-3,4-dihydro-2H-isoquinoline hydrochloride Traditional Name: 6-bromo-1-cyclobutyl-1-(4,4-diphenylheptyl)-7-methoxy-3,4-dihydro-2H-isoquinoline hydrochloride Formula: C33H41BrClNO MolecularWeight: 583.04174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCCC1(C2=CC(=C(C=C2CCN1)Br)OC)C3CCC3)(C4=CC=CC=C4)C5=CC=CC=C5.Cl

Isomeric SMILES

CCCC(CCCC1(C2=CC(=C(C=C2CCN1)Br)OC)C3CCC3)(C4=CC=CC=C4)C5=CC=CC=C5.Cl

InChI

InChI=1S/C33H40BrNO.ClH/c1-3-19-32(26-12-6-4-7-13-26,27-14-8-5-9-15-27)20-11-21-33(28-16-10-17-28)29-24-31(36-2)30(34)23-25(29)18-22-35-33;/h4-9,12-15,23-24,28,35H,3,10-11,16-22H2,1-2H3;1H