3-[(7-bromanyl-1,3-benzodioxol-5-yl)methyl]azetidin-1-ium

Systemtic Name: 3-[(7-bromanyl-1,3-benzodioxol-5-yl)methyl]azetidin-1-ium Openeye Name: 3-[(7-bromo-1,3-benzodioxol-5-yl)methyl]azetidin-1-ium CAS Name: 3-[(7-bromo-1,3-benzodioxol-5-yl)methyl]azetidin-1-ium IUPAC Name: 3-[(7-bromo-1,3-benzodioxol-5-yl)methyl]azetidin-1-ium Traditional Name: 3-[(7-bromo-1,3-benzodioxol-5-yl)methyl]azetidin-1-ium Formula: C11H13BrNO2+ MolecularWeight: 271.13042

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C[NH2+]1)CC2=CC3=C(C(=C2)Br)OCO3

Isomeric SMILES

C1C(C[NH2+]1)CC2=CC3=C(C(=C2)Br)OCO3

InChI

InChI=1S/C11H12BrNO2/c12-9-2-7(1-8-4-13-5-8)3-10-11(9)15-6-14-10/h2-3,8,13H,1,4-6H2/p+1