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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C[NH+]2CCNC(=O)C2)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C[NH+]2CCNC(=O)C2)Br)OC

InChI

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