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

Systemtic Name: (3S)-1-(4-methoxyphenyl)-3-[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-ium-1-yl]pyrrolidine-2,5-dione Openeye Name: (3S)-1-(4-methoxyphenyl)-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-ium-1-yl]pyrrolidine-2,5-dione CAS Name: (3S)-1-(4-methoxyphenyl)-3-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidin-1-iumyl]pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(4-methoxyphenyl)-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-ium-1-yl]pyrrolidine-2,5-dione Traditional Name: (3S)-3-[4-(2-keto-3H-benzimidazol-1-yl)piperidin-1-ium-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-quinone Formula: C23H25N4O4+ MolecularWeight: 421.469

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCC(CC3)N4C5=CC=CC=C5NC4=O

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C[C@@H](C2=O)[NH+]3CCC(CC3)N4C5=CC=CC=C5NC4=O

InChI

InChI=1S/C23H24N4O4/c1-31-17-8-6-15(7-9-17)27-21(28)14-20(22(27)29)25-12-10-16(11-13-25)26-19-5-3-2-4-18(19)24-23(26)30/h2-9,16,20H,10-14H2,1H3,(H,24,30)/p+1/t20-/m0/s1