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

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(phenylmethyl)piperazin-4-ium-2,6-dione Openeye Name: 4-benzyl-1-[2-(3,4-dimethoxyphenyl)ethyl]piperazin-4-ium-2,6-dione CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(phenylmethyl)piperazin-4-ium-2,6-dione IUPAC Name: 4-benzyl-1-[2-(3,4-dimethoxyphenyl)ethyl]piperazin-4-ium-2,6-dione Traditional Name: 4-benzyl-1-homoveratryl-piperazin-4-ium-2,6-quinone Formula: C21H25N2O4+ MolecularWeight: 369.4342

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C(=O)C[NH+](CC2=O)CC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C(=O)C[NH+](CC2=O)CC3=CC=CC=C3)OC

InChI

InChI=1S/C21H24N2O4/c1-26-18-9-8-16(12-19(18)27-2)10-11-23-20(24)14-22(15-21(23)25)13-17-6-4-3-5-7-17/h3-9,12H,10-11,13-15H2,1-2H3/p+1