(3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)methyl-phenethyl-azanium

Systemtic Name: (3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)methyl-phenethyl-azanium Openeye Name: (4-allyloxy-3-bromo-5-methoxy-phenyl)methyl-phenethyl-ammonium CAS Name: (3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methyl-phenethylammonium IUPAC Name: (3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methyl-phenethylazanium Traditional Name: (4-allyloxy-3-bromo-5-methoxy-benzyl)-phenethyl-ammonium Formula: C19H23BrNO2+ MolecularWeight: 377.29542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]CCC2=CC=CC=C2)Br)OCC=C

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]CCC2=CC=CC=C2)Br)OCC=C

InChI

InChI=1S/C19H22BrNO2/c1-3-11-23-19-17(20)12-16(13-18(19)22-2)14-21-10-9-15-7-5-4-6-8-15/h3-8,12-13,21H,1,9-11,14H2,2H3/p+1