(3R)-1-(4-propoxyphenyl)-3-(3,5,6-trimethylbenzimidazol-3-ium-1-yl)pyrrolidine-2,5-dione

Systemtic Name: (3R)-1-(4-propoxyphenyl)-3-(3,5,6-trimethylbenzimidazol-3-ium-1-yl)pyrrolidine-2,5-dione Openeye Name: (3R)-1-(4-propoxyphenyl)-3-(3,5,6-trimethylbenzimidazol-3-ium-1-yl)pyrrolidine-2,5-dione CAS Name: (3R)-1-(4-propoxyphenyl)-3-(3,5,6-trimethyl-1-benzimidazol-3-iumyl)pyrrolidine-2,5-dione IUPAC Name: (3R)-1-(4-propoxyphenyl)-3-(3,5,6-trimethylbenzimidazol-3-ium-1-yl)pyrrolidine-2,5-dione Traditional Name: (3R)-1-(4-propoxyphenyl)-3-(3,5,6-trimethylbenzimidazol-3-ium-1-yl)pyrrolidine-2,5-quinone Formula: C23H26N3O3+ MolecularWeight: 392.47084

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)N3C=[N+](C4=C3C=C(C(=C4)C)C)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)N2C(=O)C[C@H](C2=O)N3C=[N+](C4=C3C=C(C(=C4)C)C)C

InChI

InChI=1S/C23H26N3O3/c1-5-10-29-18-8-6-17(7-9-18)26-22(27)13-21(23(26)28)25-14-24(4)19-11-15(2)16(3)12-20(19)25/h6-9,11-12,14,21H,5,10,13H2,1-4H3/q+1/t21-/m1/s1