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

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-phenethyl-piperazin-4-ium-2,6-dione Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-phenethyl-piperazin-4-ium-2,6-dione CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-phenethylpiperazin-4-ium-2,6-dione IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-phenethylpiperazin-4-ium-2,6-dione Traditional Name: 1-homoveratryl-4-phenethyl-piperazin-4-ium-2,6-quinone Formula: C22H27N2O4+ MolecularWeight: 383.46078

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C(=O)C[NH+](CC2=O)CCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C(=O)C[NH+](CC2=O)CCC3=CC=CC=C3)OC

InChI

InChI=1S/C22H26N2O4/c1-27-19-9-8-18(14-20(19)28-2)11-13-24-21(25)15-23(16-22(24)26)12-10-17-6-4-3-5-7-17/h3-9,14H,10-13,15-16H2,1-2H3/p+1