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

Systemtic Name: (3S)-3-[(2R)-2-ethylpiperidin-1-ium-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione Openeye Name: (3S)-3-[(2R)-2-ethylpiperidin-1-ium-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione CAS Name: (3S)-3-[(2R)-2-ethyl-1-piperidin-1-iumyl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-3-[(2R)-2-ethylpiperidin-1-ium-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione Traditional Name: (3S)-3-[(2R)-2-ethylpiperidin-1-ium-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-quinone Formula: C18H25N2O3+ MolecularWeight: 317.4027

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O3/c1-3-13-6-4-5-11-19(13)16-12-17(21)20(18(16)22)14-7-9-15(23-2)10-8-14/h7-10,13,16H,3-6,11-12H2,1-2H3/p+1/t13-,16+/m1/s1