(3R)-3-[4-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione

Systemtic Name: (3R)-3-[4-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione Openeye Name: (3R)-3-[4-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione CAS Name: (3R)-3-[4-(1H-benzimidazol-2-yl)-1-piperidin-1-iumyl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione IUPAC Name: (3R)-3-[4-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione Traditional Name: (3R)-3-[4-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-quinone Formula: C25H29N4O3+ MolecularWeight: 433.52276

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCC(CC3)C4=NC5=CC=CC=C5N4

Isomeric SMILES

CCCOC1=CC=C(C=C1)N2C(=O)C[C@H](C2=O)[NH+]3CCC(CC3)C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C25H28N4O3/c1-2-15-32-19-9-7-18(8-10-19)29-23(30)16-22(25(29)31)28-13-11-17(12-14-28)24-26-20-5-3-4-6-21(20)27-24/h3-10,17,22H,2,11-16H2,1H3,(H,26,27)/p+1/t22-/m1/s1