(3S)-1-(3-ethoxyphenyl)-3-(4-ethylpiperazine-1,4-diium-1-yl)pyrrolidine-2,5-dione

Systemtic Name: (3S)-1-(3-ethoxyphenyl)-3-(4-ethylpiperazine-1,4-diium-1-yl)pyrrolidine-2,5-dione Openeye Name: (3S)-1-(3-ethoxyphenyl)-3-(4-ethylpiperazine-1,4-diium-1-yl)pyrrolidine-2,5-dione CAS Name: (3S)-1-(3-ethoxyphenyl)-3-(4-ethyl-1-piperazine-1,4-diiumyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(3-ethoxyphenyl)-3-(4-ethylpiperazine-1,4-diium-1-yl)pyrrolidine-2,5-dione Traditional Name: (3S)-3-(4-ethylpiperazine-1,4-diium-1-yl)-1-m-phenetyl-pyrrolidine-2,5-quinone Formula: C18H27N3O3+2 MolecularWeight: 333.42528

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)C2CC(=O)N(C2=O)C3=CC(=CC=C3)OCC

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)[C@H]2CC(=O)N(C2=O)C3=CC(=CC=C3)OCC

InChI

InChI=1S/C18H25N3O3/c1-3-19-8-10-20(11-9-19)16-13-17(22)21(18(16)23)14-6-5-7-15(12-14)24-4-2/h5-7,12,16H,3-4,8-11,13H2,1-2H3/p+2/t16-/m0/s1