4-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]piperazin-4-ium-2-one

Systemtic Name: 4-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]piperazin-4-ium-2-one Openeye Name: 4-[(4-hydroxy-3,5-dimethoxy-phenyl)methyl]piperazin-4-ium-2-one CAS Name: 4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-2-piperazin-4-iumone IUPAC Name: 4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]piperazin-4-ium-2-one Traditional Name: 4-(4-hydroxy-3,5-dimethoxy-benzyl)piperazin-4-ium-2-one Formula: C13H19N2O4+ MolecularWeight: 267.30096

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)C[NH+]2CCNC(=O)C2

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)C[NH+]2CCNC(=O)C2

InChI

InChI=1S/C13H18N2O4/c1-18-10-5-9(6-11(19-2)13(10)17)7-15-4-3-14-12(16)8-15/h5-6,17H,3-4,7-8H2,1-2H3,(H,14,16)/p+1