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

Systemtic Name: 4-[(4-bromanyl-2,5-dimethoxy-phenyl)methyl]piperazin-4-ium-2-one Openeye Name: 4-[(4-bromo-2,5-dimethoxy-phenyl)methyl]piperazin-4-ium-2-one CAS Name: 4-[(4-bromo-2,5-dimethoxyphenyl)methyl]-2-piperazin-4-iumone IUPAC Name: 4-[(4-bromo-2,5-dimethoxyphenyl)methyl]piperazin-4-ium-2-one Traditional Name: 4-(4-bromo-2,5-dimethoxy-benzyl)piperazin-4-ium-2-one Formula: C13H18BrN2O3+ MolecularWeight: 330.19762

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C[NH+]2CCNC(=O)C2)OC)Br

Isomeric SMILES

COC1=CC(=C(C=C1C[NH+]2CCNC(=O)C2)OC)Br

InChI

InChI=1S/C13H17BrN2O3/c1-18-11-6-10(14)12(19-2)5-9(11)7-16-4-3-15-13(17)8-16/h5-6H,3-4,7-8H2,1-2H3,(H,15,17)/p+1