(3S)-3-[(2S)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]-1-(2-methoxy-5-methyl-phenyl)pyrrolidine-2,5-dione

Systemtic Name: (3S)-3-[(2S)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]-1-(2-methoxy-5-methyl-phenyl)pyrrolidine-2,5-dione Openeye Name: (3S)-3-[(2S)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]-1-(2-methoxy-5-methyl-phenyl)pyrrolidine-2,5-dione CAS Name: (3S)-3-[(2S)-2-(2-hydroxyethyl)-1-piperidin-1-iumyl]-1-(2-methoxy-5-methylphenyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-3-[(2S)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]-1-(2-methoxy-5-methylphenyl)pyrrolidine-2,5-dione Traditional Name: (3S)-3-[(2S)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]-1-(2-methoxy-5-methyl-phenyl)pyrrolidine-2,5-quinone Formula: C19H27N2O4+ MolecularWeight: 347.42868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2C(=O)CC(C2=O)[NH+]3CCCCC3CCO

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C(=O)C[C@@H](C2=O)[NH+]3CCCC[C@H]3CCO

InChI

InChI=1S/C19H26N2O4/c1-13-6-7-17(25-2)15(11-13)21-18(23)12-16(19(21)24)20-9-4-3-5-14(20)8-10-22/h6-7,11,14,16,22H,3-5,8-10,12H2,1-2H3/p+1/t14-,16-/m0/s1