(2-bromanyl-4,5-dimethoxy-phenyl)methyl-cycloheptyl-azanium

Systemtic Name: (2-bromanyl-4,5-dimethoxy-phenyl)methyl-cycloheptyl-azanium Openeye Name: (2-bromo-4,5-dimethoxy-phenyl)methyl-cycloheptyl-ammonium CAS Name: (2-bromo-4,5-dimethoxyphenyl)methyl-cycloheptylammonium IUPAC Name: (2-bromo-4,5-dimethoxyphenyl)methyl-cycloheptylazanium Traditional Name: (2-bromo-4,5-dimethoxy-benzyl)-cycloheptyl-ammonium Formula: C16H25BrNO2+ MolecularWeight: 343.2792

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C[NH2+]C2CCCCCC2)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C[NH2+]C2CCCCCC2)Br)OC

InChI

InChI=1S/C16H24BrNO2/c1-19-15-9-12(14(17)10-16(15)20-2)11-18-13-7-5-3-4-6-8-13/h9-10,13,18H,3-8,11H2,1-2H3/p+1