(3S)-1-(4-propoxyphenyl)-3-thiomorpholin-4-ium-4-yl-pyrrolidine-2,5-dione

Systemtic Name: (3S)-1-(4-propoxyphenyl)-3-thiomorpholin-4-ium-4-yl-pyrrolidine-2,5-dione Openeye Name: (3S)-1-(4-propoxyphenyl)-3-thiomorpholin-4-ium-4-yl-pyrrolidine-2,5-dione CAS Name: (3S)-1-(4-propoxyphenyl)-3-(4-thiomorpholin-4-iumyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(4-propoxyphenyl)-3-thiomorpholin-4-ium-4-ylpyrrolidine-2,5-dione Traditional Name: (3S)-1-(4-propoxyphenyl)-3-thiomorpholin-4-ium-4-yl-pyrrolidine-2,5-quinone Formula: C17H23N2O3S+ MolecularWeight: 335.44112

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCSCC3

Isomeric SMILES

CCCOC1=CC=C(C=C1)N2C(=O)C[C@@H](C2=O)[NH+]3CCSCC3

InChI

InChI=1S/C17H22N2O3S/c1-2-9-22-14-5-3-13(4-6-14)19-16(20)12-15(17(19)21)18-7-10-23-11-8-18/h3-6,15H,2,7-12H2,1H3/p+1/t15-/m0/s1