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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2C(=O)CC(C2=O)[NH+]3CCCCC3CCO

Isomeric SMILES

CCOC1=CC=CC=C1N2C(=O)C[C@@H](C2=O)[NH+]3CCCC[C@H]3CCO

InChI

InChI=1S/C19H26N2O4/c1-2-25-17-9-4-3-8-15(17)21-18(23)13-16(19(21)24)20-11-6-5-7-14(20)10-12-22/h3-4,8-9,14,16,22H,2,5-7,10-13H2,1H3/p+1/t14-,16-/m0/s1