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

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-4-methyl-1,4-diazepan-1-ium Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)methyl]-4-methyl-1,4-diazepan-1-ium CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-methyl-1,4-diazepan-1-ium IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-methyl-1,4-diazepan-1-ium Traditional Name: 1-(2-bromo-4,5-dimethoxy-benzyl)-4-methyl-1,4-diazepan-1-ium Formula: C15H24BrN2O2+ MolecularWeight: 344.26726

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC[NH+](CC1)CC2=CC(=C(C=C2Br)OC)OC

Isomeric SMILES

CN1CCC[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+1