2-[(3-bromanyl-4-methoxy-phenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: 2-[(3-bromanyl-4-methoxy-phenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 2-[(3-bromo-4-methoxy-phenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 2-[(3-bromo-4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 2-[(3-bromo-4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 2-(3-bromo-4-methoxy-benzyl)-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C17H19BrNO+ MolecularWeight: 333.24286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18BrNO/c1-20-17-7-6-13(10-16(17)18)11-19-9-8-14-4-2-3-5-15(14)12-19/h2-7,10H,8-9,11-12H2,1H3/p+1