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

Systemtic Name: (3S)-3-[4-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-1-(3-methoxyphenyl)pyrrolidine-2,5-dione Openeye Name: (3S)-3-[4-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-1-(3-methoxyphenyl)pyrrolidine-2,5-dione CAS Name: (3S)-3-[4-(1H-benzimidazol-2-yl)-1-piperidin-1-iumyl]-1-(3-methoxyphenyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-3-[4-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-1-(3-methoxyphenyl)pyrrolidine-2,5-dione Traditional Name: (3S)-3-[4-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-1-(3-methoxyphenyl)pyrrolidine-2,5-quinone Formula: C23H25N4O3+ MolecularWeight: 405.4696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=O)CC(C2=O)[NH+]3CCC(CC3)C4=NC5=CC=CC=C5N4

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=O)C[C@@H](C2=O)[NH+]3CCC(CC3)C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C23H24N4O3/c1-30-17-6-4-5-16(13-17)27-21(28)14-20(23(27)29)26-11-9-15(10-12-26)22-24-18-7-2-3-8-19(18)25-22/h2-8,13,15,20H,9-12,14H2,1H3,(H,24,25)/p+1/t20-/m0/s1