(3S)-1-(4-ethoxyphenyl)-3-[(2R)-2-ethylpiperidin-1-ium-1-yl]pyrrolidine-2,5-dione

Systemtic Name: (3S)-1-(4-ethoxyphenyl)-3-[(2R)-2-ethylpiperidin-1-ium-1-yl]pyrrolidine-2,5-dione Openeye Name: (3S)-1-(4-ethoxyphenyl)-3-[(2R)-2-ethylpiperidin-1-ium-1-yl]pyrrolidine-2,5-dione CAS Name: (3S)-1-(4-ethoxyphenyl)-3-[(2R)-2-ethyl-1-piperidin-1-iumyl]pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(4-ethoxyphenyl)-3-[(2R)-2-ethylpiperidin-1-ium-1-yl]pyrrolidine-2,5-dione Traditional Name: (3S)-3-[(2R)-2-ethylpiperidin-1-ium-1-yl]-1-p-phenetyl-pyrrolidine-2,5-quinone Formula: C19H27N2O3+ MolecularWeight: 331.42928

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1C2CC(=O)N(C2=O)C3=CC=C(C=C3)OCC

Isomeric SMILES

CC[C@@H]1CCCC[NH+]1[C@H]2CC(=O)N(C2=O)C3=CC=C(C=C3)OCC

InChI

InChI=1S/C19H26N2O3/c1-3-14-7-5-6-12-20(14)17-13-18(22)21(19(17)23)15-8-10-16(11-9-15)24-4-2/h8-11,14,17H,3-7,12-13H2,1-2H3/p+1/t14-,17+/m1/s1