2-[(2-bromanyl-5-methoxy-phenyl)methyl]isoquinolin-2-ium

Systemtic Name: 2-[(2-bromanyl-5-methoxy-phenyl)methyl]isoquinolin-2-ium Openeye Name: 2-[(2-bromo-5-methoxy-phenyl)methyl]isoquinolin-2-ium CAS Name: 2-[(2-bromo-5-methoxyphenyl)methyl]isoquinolin-2-ium IUPAC Name: 2-[(2-bromo-5-methoxyphenyl)methyl]isoquinolin-2-ium Traditional Name: 2-(2-bromo-5-methoxy-benzyl)isoquinolin-2-ium Formula: C17H15BrNO+ MolecularWeight: 329.2111

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)C[N+]2=CC3=CC=CC=C3C=C2

Isomeric SMILES

COC1=CC(=C(C=C1)Br)C[N+]2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C17H15BrNO/c1-20-16-6-7-17(18)15(10-16)12-19-9-8-13-4-2-3-5-14(13)11-19/h2-11H,12H2,1H3/q+1