N-[(3-bromanyl-5-ethoxy-4-methoxy-phenyl)methyl]octan-1-amine hydrochloride

Systemtic Name: N-[(3-bromanyl-5-ethoxy-4-methoxy-phenyl)methyl]octan-1-amine hydrochloride Openeye Name: N-[(3-bromo-5-ethoxy-4-methoxy-phenyl)methyl]octan-1-amine hydrochloride CAS Name: N-[(3-bromo-5-ethoxy-4-methoxyphenyl)methyl]-1-octanamine hydrochloride IUPAC Name: N-[(3-bromo-5-ethoxy-4-methoxyphenyl)methyl]octan-1-amine hydrochloride Traditional Name: (3-bromo-5-ethoxy-4-methoxy-benzyl)-octyl-amine hydrochloride Formula: C18H31BrClNO2 MolecularWeight: 408.80124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNCC1=CC(=C(C(=C1)Br)OC)OCC.Cl

Isomeric SMILES

CCCCCCCCNCC1=CC(=C(C(=C1)Br)OC)OCC.Cl

InChI

InChI=1S/C18H30BrNO2.ClH/c1-4-6-7-8-9-10-11-20-14-15-12-16(19)18(21-3)17(13-15)22-5-2;/h12-13,20H,4-11,14H2,1-3H3;1H