2-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: 2-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C17H17BrNO2+ MolecularWeight: 347.22638

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC3=CC4=C(C=C3Br)OCO4

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CC3=CC4=C(C=C3Br)OCO4

InChI

InChI=1S/C17H16BrNO2/c18-15-8-17-16(20-11-21-17)7-14(15)10-19-6-5-12-3-1-2-4-13(12)9-19/h1-4,7-8H,5-6,9-11H2/p+1