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

Systemtic Name: 4-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]piperazin-4-ium-1-carbaldehyde Openeye Name: 4-[(2-bromo-4,5-dimethoxy-phenyl)methyl]piperazin-4-ium-1-carbaldehyde CAS Name: 4-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-piperazin-4-iumcarboxaldehyde IUPAC Name: 4-[(2-bromo-4,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-carbaldehyde Traditional Name: 4-(2-bromo-4,5-dimethoxy-benzyl)piperazin-4-ium-1-carbaldehyde Formula: C14H20BrN2O3+ MolecularWeight: 344.2242

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C[NH+]2CCN(CC2)C=O)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C[NH+]2CCN(CC2)C=O)Br)OC

InChI

InChI=1S/C14H19BrN2O3/c1-19-13-7-11(12(15)8-14(13)20-2)9-16-3-5-17(10-18)6-4-16/h7-8,10H,3-6,9H2,1-2H3/p+1