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

Systemtic Name: (3S)-3-[4-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-1-methyl-pyrrolidine-2,5-dione Openeye Name: (3S)-3-[4-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-1-methyl-pyrrolidine-2,5-dione CAS Name: (3S)-3-[4-(1H-benzimidazol-2-yl)-1-piperidin-1-iumyl]-1-methylpyrrolidine-2,5-dione IUPAC Name: (3S)-3-[4-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-1-methylpyrrolidine-2,5-dione Traditional Name: (3S)-3-[4-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-1-methyl-pyrrolidine-2,5-quinone Formula: C17H21N4O2+ MolecularWeight: 313.37424

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CC(C1=O)[NH+]2CCC(CC2)C3=NC4=CC=CC=C4N3

Isomeric SMILES

CN1C(=O)C[C@@H](C1=O)[NH+]2CCC(CC2)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C17H20N4O2/c1-20-15(22)10-14(17(20)23)21-8-6-11(7-9-21)16-18-12-4-2-3-5-13(12)19-16/h2-5,11,14H,6-10H2,1H3,(H,18,19)/p+1/t14-/m0/s1