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

Systemtic Name: (3S)-1-(5-methyl-1,2-oxazol-3-yl)-3-[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-ium-1-yl]pyrrolidine-2,5-dione Openeye Name: (3S)-1-(5-methylisoxazol-3-yl)-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-ium-1-yl]pyrrolidine-2,5-dione CAS Name: (3S)-1-(5-methyl-3-isoxazolyl)-3-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidin-1-iumyl]pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(5-methyl-1,2-oxazol-3-yl)-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-(5-methylisoxazol-3-yl)pyrrolidine-2,5-quinone Formula: C20H22N5O4+ MolecularWeight: 396.41978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)N2C(=O)CC(C2=O)[NH+]3CCC(CC3)N4C5=CC=CC=C5NC4=O

Isomeric SMILES

CC1=CC(=NO1)N2C(=O)C[C@@H](C2=O)[NH+]3CCC(CC3)N4C5=CC=CC=C5NC4=O

InChI

InChI=1S/C20H21N5O4/c1-12-10-17(22-29-12)25-18(26)11-16(19(25)27)23-8-6-13(7-9-23)24-15-5-3-2-4-14(15)21-20(24)28/h2-5,10,13,16H,6-9,11H2,1H3,(H,21,28)/p+1/t16-/m0/s1