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

Systemtic Name: (3S)-1-(4-hexoxyphenyl)-3-thiomorpholin-4-ium-4-yl-pyrrolidine-2,5-dione Openeye Name: (3S)-1-(4-hexoxyphenyl)-3-thiomorpholin-4-ium-4-yl-pyrrolidine-2,5-dione CAS Name: (3S)-1-(4-hexoxyphenyl)-3-(4-thiomorpholin-4-iumyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(4-hexoxyphenyl)-3-thiomorpholin-4-ium-4-ylpyrrolidine-2,5-dione Traditional Name: (3S)-1-(4-hexoxyphenyl)-3-thiomorpholin-4-ium-4-yl-pyrrolidine-2,5-quinone Formula: C20H29N2O3S+ MolecularWeight: 377.52086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCSCC3

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)N2C(=O)C[C@@H](C2=O)[NH+]3CCSCC3

InChI

InChI=1S/C20H28N2O3S/c1-2-3-4-5-12-25-17-8-6-16(7-9-17)22-19(23)15-18(20(22)24)21-10-13-26-14-11-21/h6-9,18H,2-5,10-15H2,1H3/p+1/t18-/m0/s1