1-[2-(3,4-dimethoxyphenyl)ethyl]piperazin-4-ium-2,6-dione

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]piperazin-4-ium-2,6-dione Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]piperazin-4-ium-2,6-dione CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]piperazin-4-ium-2,6-dione IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]piperazin-4-ium-2,6-dione Traditional Name: 1-homoveratrylpiperazin-4-ium-2,6-quinone Formula: C14H19N2O4+ MolecularWeight: 279.31166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C(=O)C[NH2+]CC2=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C(=O)C[NH2+]CC2=O)OC

InChI

InChI=1S/C14H18N2O4/c1-19-11-4-3-10(7-12(11)20-2)5-6-16-13(17)8-15-9-14(16)18/h3-4,7,15H,5-6,8-9H2,1-2H3/p+1