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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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