2,4-bis(bromanyl)-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenolate

Systemtic Name: 2,4-bis(bromanyl)-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenolate Openeye Name: 2,4-dibromo-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenolate CAS Name: 2,4-dibromo-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenolate IUPAC Name: 2,4-dibromo-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenolate Traditional Name: 2,4-dibromo-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenolate Formula: C16H15Br2NO MolecularWeight: 397.1044

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC3=CC(=CC(=C3[O-])Br)Br

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CC3=CC(=CC(=C3[O-])Br)Br

InChI

InChI=1S/C16H15Br2NO/c17-14-7-13(16(20)15(18)8-14)10-19-6-5-11-3-1-2-4-12(11)9-19/h1-4,7-8,20H,5-6,9-10H2