5-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)carbonyl-1-(2-piperazine-1,4-diium-1-ylethyl)pyrrolidine-2,3-dione

Systemtic Name: 5-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)carbonyl-1-(2-piperazine-1,4-diium-1-ylethyl)pyrrolidine-2,3-dione Openeye Name: 5-(3,4-dimethoxyphenyl)-4-(4-methoxybenzoyl)-1-(2-piperazine-1,4-diium-1-ylethyl)pyrrolidine-2,3-dione CAS Name: 5-(3,4-dimethoxyphenyl)-4-[(4-methoxyphenyl)-oxomethyl]-1-[2-(1-piperazine-1,4-diiumyl)ethyl]pyrrolidine-2,3-dione IUPAC Name: 5-(3,4-dimethoxyphenyl)-4-(4-methoxybenzoyl)-1-(2-piperazine-1,4-diium-1-ylethyl)pyrrolidine-2,3-dione Traditional Name: 5-(3,4-dimethoxyphenyl)-4-p-anisoyl-1-(2-piperazine-1,4-diium-1-ylethyl)pyrrolidine-2,3-quinone Formula: C26H33N3O6+2 MolecularWeight: 483.55672

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C2C(N(C(=O)C2=O)CC[NH+]3CC[NH2+]CC3)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C2C(N(C(=O)C2=O)CC[NH+]3CC[NH2+]CC3)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C26H31N3O6/c1-33-19-7-4-17(5-8-19)24(30)22-23(18-6-9-20(34-2)21(16-18)35-3)29(26(32)25(22)31)15-14-28-12-10-27-11-13-28/h4-9,16,22-23,27H,10-15H2,1-3H3/p+2