4-bromanyl-2-methoxy-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenol

Systemtic Name: 4-bromanyl-2-methoxy-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenol Openeye Name: 4-bromo-2-methoxy-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenol CAS Name: 4-bromo-2-methoxy-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenol IUPAC Name: 4-bromo-2-methoxy-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenol Traditional Name: 4-bromo-2-methoxy-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenol Formula: C17H19BrNO2+ MolecularWeight: 349.24226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)Br)C[NH+]2CCC3=CC=CC=C3C2)O

Isomeric SMILES

COC1=C(C(=CC(=C1)Br)C[NH+]2CCC3=CC=CC=C3C2)O

InChI

InChI=1S/C17H18BrNO2/c1-21-16-9-15(18)8-14(17(16)20)11-19-7-6-12-4-2-3-5-13(12)10-19/h2-5,8-9,20H,6-7,10-11H2,1H3/p+1