(3-bromanyl-5-ethoxy-4-methoxy-phenyl)methyl-propyl-azanium

Systemtic Name: (3-bromanyl-5-ethoxy-4-methoxy-phenyl)methyl-propyl-azanium Openeye Name: (3-bromo-5-ethoxy-4-methoxy-phenyl)methyl-propyl-ammonium CAS Name: (3-bromo-5-ethoxy-4-methoxyphenyl)methyl-propylammonium IUPAC Name: (3-bromo-5-ethoxy-4-methoxyphenyl)methyl-propylazanium Traditional Name: (3-bromo-5-ethoxy-4-methoxy-benzyl)-propyl-ammonium Formula: C13H21BrNO2+ MolecularWeight: 303.21534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[NH2+]CC1=CC(=C(C(=C1)Br)OC)OCC

Isomeric SMILES

CCC[NH2+]CC1=CC(=C(C(=C1)Br)OC)OCC

InChI

InChI=1S/C13H20BrNO2/c1-4-6-15-9-10-7-11(14)13(16-3)12(8-10)17-5-2/h7-8,15H,4-6,9H2,1-3H3/p+1