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

Systemtic Name: 2-[(4-bromanyl-1,3-benzodioxol-5-yl)methyl]isoquinolin-2-ium Openeye Name: 2-[(4-bromo-1,3-benzodioxol-5-yl)methyl]isoquinolin-2-ium CAS Name: 2-[(4-bromo-1,3-benzodioxol-5-yl)methyl]isoquinolin-2-ium IUPAC Name: 2-[(4-bromo-1,3-benzodioxol-5-yl)methyl]isoquinolin-2-ium Traditional Name: 2-[(4-bromo-1,3-benzodioxol-5-yl)methyl]isoquinolin-2-ium Formula: C17H13BrNO2+ MolecularWeight: 343.19462

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=C(C=C2)C[N+]3=CC4=CC=CC=C4C=C3)Br

Isomeric SMILES

C1OC2=C(O1)C(=C(C=C2)C[N+]3=CC4=CC=CC=C4C=C3)Br

InChI

InChI=1S/C17H13BrNO2/c18-16-14(5-6-15-17(16)21-11-20-15)10-19-8-7-12-3-1-2-4-13(12)9-19/h1-9H,10-11H2/q+1