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

Systemtic Name: (3S)-3-[4-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-1-(3-ethoxyphenyl)pyrrolidine-2,5-dione Openeye Name: (3S)-3-[4-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-1-(3-ethoxyphenyl)pyrrolidine-2,5-dione CAS Name: (3S)-3-[4-(1H-benzimidazol-2-yl)-1-piperidin-1-iumyl]-1-(3-ethoxyphenyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-3-[4-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-1-(3-ethoxyphenyl)pyrrolidine-2,5-dione Traditional Name: (3S)-3-[4-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-1-m-phenetyl-pyrrolidine-2,5-quinone Formula: C24H27N4O3+ MolecularWeight: 419.49618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)N2C(=O)CC(C2=O)[NH+]3CCC(CC3)C4=NC5=CC=CC=C5N4

Isomeric SMILES

CCOC1=CC=CC(=C1)N2C(=O)C[C@@H](C2=O)[NH+]3CCC(CC3)C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C24H26N4O3/c1-2-31-18-7-5-6-17(14-18)28-22(29)15-21(24(28)30)27-12-10-16(11-13-27)23-25-19-8-3-4-9-20(19)26-23/h3-9,14,16,21H,2,10-13,15H2,1H3,(H,25,26)/p+1/t21-/m0/s1