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

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-4-methyl-piperazin-4-ium Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)methyl]-4-methyl-piperazin-4-ium CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-methylpiperazin-4-ium IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-methylpiperazin-4-ium Traditional Name: 1-(2-bromo-4,5-dimethoxy-benzyl)-4-methyl-piperazin-4-ium Formula: C14H22BrN2O2+ MolecularWeight: 330.24068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21BrN2O2/c1-16-4-6-17(7-5-16)10-11-8-13(18-2)14(19-3)9-12(11)15/h8-9H,4-7,10H2,1-3H3/p+1