3-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]azetidin-1-ium

Systemtic Name: 3-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]azetidin-1-ium Openeye Name: 3-[(2-bromo-4,5-dimethoxy-phenyl)methyl]azetidin-1-ium CAS Name: 3-[(2-bromo-4,5-dimethoxyphenyl)methyl]azetidin-1-ium IUPAC Name: 3-[(2-bromo-4,5-dimethoxyphenyl)methyl]azetidin-1-ium Traditional Name: 3-(2-bromo-4,5-dimethoxy-benzyl)azetidin-1-ium Formula: C12H17BrNO2+ MolecularWeight: 287.17288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CC2C[NH2+]C2)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CC2C[NH2+]C2)Br)OC

InChI

InChI=1S/C12H16BrNO2/c1-15-11-4-9(3-8-6-14-7-8)10(13)5-12(11)16-2/h4-5,8,14H,3,6-7H2,1-2H3/p+1