(3R)-1-(4-butoxyphenyl)-3-[(3-ethyl-1H-benzimidazol-3-ium-2-yl)amino]pyrrolidine-2,5-dione

Systemtic Name: (3R)-1-(4-butoxyphenyl)-3-[(3-ethyl-1H-benzimidazol-3-ium-2-yl)amino]pyrrolidine-2,5-dione Openeye Name: (3R)-1-(4-butoxyphenyl)-3-[(3-ethyl-1H-benzimidazol-3-ium-2-yl)amino]pyrrolidine-2,5-dione CAS Name: (3R)-1-(4-butoxyphenyl)-3-[(3-ethyl-1H-benzimidazol-3-ium-2-yl)amino]pyrrolidine-2,5-dione IUPAC Name: (3R)-1-(4-butoxyphenyl)-3-[(3-ethyl-1H-benzimidazol-3-ium-2-yl)amino]pyrrolidine-2,5-dione Traditional Name: (3R)-1-(4-butoxyphenyl)-3-[(3-ethyl-1H-benzimidazol-3-ium-2-yl)amino]pyrrolidine-2,5-quinone Formula: C23H27N4O3+ MolecularWeight: 407.48548

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)NC3=[N+](C4=CC=CC=C4N3)CC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)N2C(=O)C[C@H](C2=O)NC3=[N+](C4=CC=CC=C4N3)CC

InChI

InChI=1S/C23H26N4O3/c1-3-5-14-30-17-12-10-16(11-13-17)27-21(28)15-19(22(27)29)25-23-24-18-8-6-7-9-20(18)26(23)4-2/h6-13,19H,3-5,14-15H2,1-2H3,(H,24,25)/p+1/t19-/m1/s1