(3R)-1-(2,4-dimethoxyphenyl)-3-piperazin-4-ium-1-yl-pyrrolidine-2,5-dione

Systemtic Name: (3R)-1-(2,4-dimethoxyphenyl)-3-piperazin-4-ium-1-yl-pyrrolidine-2,5-dione Openeye Name: (3R)-1-(2,4-dimethoxyphenyl)-3-piperazin-4-ium-1-yl-pyrrolidine-2,5-dione CAS Name: (3R)-1-(2,4-dimethoxyphenyl)-3-(1-piperazin-4-iumyl)pyrrolidine-2,5-dione IUPAC Name: (3R)-1-(2,4-dimethoxyphenyl)-3-piperazin-4-ium-1-ylpyrrolidine-2,5-dione Traditional Name: (3R)-1-(2,4-dimethoxyphenyl)-3-piperazin-4-ium-1-yl-pyrrolidine-2,5-quinone Formula: C16H22N3O4+ MolecularWeight: 320.36358

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2C(=O)CC(C2=O)N3CC[NH2+]CC3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)N2C(=O)C[C@H](C2=O)N3CC[NH2+]CC3)OC

InChI

InChI=1S/C16H21N3O4/c1-22-11-3-4-12(14(9-11)23-2)19-15(20)10-13(16(19)21)18-7-5-17-6-8-18/h3-4,9,13,17H,5-8,10H2,1-2H3/p+1/t13-/m1/s1