1-[3-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]pyrrolidine-2,5-dione

Systemtic Name: 1-[3-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]pyrrolidine-2,5-dione Openeye Name: 1-[3-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-oxo-propyl]pyrrolidine-2,5-dione CAS Name: 1-[3-[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-3-oxopropyl]pyrrolidine-2,5-dione IUPAC Name: 1-[3-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-oxopropyl]pyrrolidine-2,5-dione Traditional Name: 1-[3-keto-3-(4-veratrylpiperazin-4-ium-1-yl)propyl]pyrrolidine-2,5-quinone Formula: C20H28N3O5+ MolecularWeight: 390.45342

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)CCN3C(=O)CCC3=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)CCN3C(=O)CCC3=O)OC

InChI

InChI=1S/C20H27N3O5/c1-27-16-4-3-15(13-17(16)28-2)14-21-9-11-22(12-10-21)18(24)7-8-23-19(25)5-6-20(23)26/h3-4,13H,5-12,14H2,1-2H3/p+1