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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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