2-[[3-(2-bromanyl-4-propan-2-yl-phenoxy)-2-oxidanyl-propyl]-methyl-amino]-1-phenyl-propan-1-ol hydrochloride

Systemtic Name: 2-[[3-(2-bromanyl-4-propan-2-yl-phenoxy)-2-oxidanyl-propyl]-methyl-amino]-1-phenyl-propan-1-ol hydrochloride Openeye Name: 2-[[3-(2-bromo-4-isopropyl-phenoxy)-2-hydroxy-propyl]-methyl-amino]-1-phenyl-propan-1-ol hydrochloride CAS Name: 2-[[3-(2-bromo-4-propan-2-ylphenoxy)-2-hydroxypropyl]-methylamino]-1-phenyl-1-propanol hydrochloride IUPAC Name: 2-[[3-(2-bromo-4-propan-2-ylphenoxy)-2-hydroxypropyl]-methylamino]-1-phenylpropan-1-ol hydrochloride Traditional Name: 2-[[3-(2-bromo-4-isopropyl-phenoxy)-2-hydroxy-propyl]-methyl-amino]-1-phenyl-propan-1-ol hydrochloride Formula: C22H31BrClNO3 MolecularWeight: 472.84344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C=C1)OCC(CN(C)C(C)C(C2=CC=CC=C2)O)O)Br.Cl

Isomeric SMILES

CC(C)C1=CC(=C(C=C1)OCC(CN(C)C(C)C(C2=CC=CC=C2)O)O)Br.Cl

InChI

InChI=1S/C22H30BrNO3.ClH/c1-15(2)18-10-11-21(20(23)12-18)27-14-19(25)13-24(4)16(3)22(26)17-8-6-5-7-9-17;/h5-12,15-16,19,22,25-26H,13-14H2,1-4H3;1H