1-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium Traditional Name: 1-(2-bromo-4,5-dimethoxy-benzyl)-4-methyl-1,4-diazepane-1,4-diium Formula: C15H25BrN2O2+2 MolecularWeight: 345.2752

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC[NH+](CC1)CC2=CC(=C(C=C2Br)OC)OC

Isomeric SMILES

C[NH+]1CCC[NH+](CC1)CC2=CC(=C(C=C2Br)OC)OC

InChI

InChI=1S/C15H23BrN2O2/c1-17-5-4-6-18(8-7-17)11-12-9-14(19-2)15(20-3)10-13(12)16/h9-10H,4-8,11H2,1-3H3/p+2