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

Systemtic Name: (3S)-3-[4-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-1-(3-methylphenyl)pyrrolidine-2,5-dione Openeye Name: (3S)-3-[4-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-1-(m-tolyl)pyrrolidine-2,5-dione CAS Name: (3S)-3-[4-(1H-benzimidazol-2-yl)-1-piperidin-1-iumyl]-1-(3-methylphenyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-3-[4-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-1-(3-methylphenyl)pyrrolidine-2,5-dione Traditional Name: (3S)-3-[4-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-1-(m-tolyl)pyrrolidine-2,5-quinone Formula: C23H25N4O2+ MolecularWeight: 389.4702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)CC(C2=O)[NH+]3CCC(CC3)C4=NC5=CC=CC=C5N4

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)C[C@@H](C2=O)[NH+]3CCC(CC3)C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C23H24N4O2/c1-15-5-4-6-17(13-15)27-21(28)14-20(23(27)29)26-11-9-16(10-12-26)22-24-18-7-2-3-8-19(18)25-22/h2-8,13,16,20H,9-12,14H2,1H3,(H,24,25)/p+1/t20-/m0/s1