2-[(2-bromanyl-4,5-dimethoxy-phenyl)methylamino]butan-1-ol hydrochloride

Systemtic Name: 2-[(2-bromanyl-4,5-dimethoxy-phenyl)methylamino]butan-1-ol hydrochloride Openeye Name: 2-[(2-bromo-4,5-dimethoxy-phenyl)methylamino]butan-1-ol hydrochloride CAS Name: 2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]-1-butanol hydrochloride IUPAC Name: 2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]butan-1-ol hydrochloride Traditional Name: 2-[(2-bromo-4,5-dimethoxy-benzyl)amino]butan-1-ol hydrochloride Formula: C13H21BrClNO3 MolecularWeight: 354.66774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NCC1=CC(=C(C=C1Br)OC)OC.Cl

Isomeric SMILES

CCC(CO)NCC1=CC(=C(C=C1Br)OC)OC.Cl

InChI

InChI=1S/C13H20BrNO3.ClH/c1-4-10(8-16)15-7-9-5-12(17-2)13(18-3)6-11(9)14;/h5-6,10,15-16H,4,7-8H2,1-3H3;1H