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

Systemtic Name: 1-(4-butoxyphenyl)-3-thiomorpholin-4-ium-4-yl-pyrrolidine-2,5-dione Openeye Name: 1-(4-butoxyphenyl)-3-thiomorpholin-4-ium-4-yl-pyrrolidine-2,5-dione CAS Name: 1-(4-butoxyphenyl)-3-(4-thiomorpholin-4-iumyl)pyrrolidine-2,5-dione IUPAC Name: 1-(4-butoxyphenyl)-3-thiomorpholin-4-ium-4-ylpyrrolidine-2,5-dione Traditional Name: 1-(4-butoxyphenyl)-3-thiomorpholin-4-ium-4-yl-pyrrolidine-2,5-quinone Formula: C18H25N2O3S+ MolecularWeight: 349.4677

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCSCC3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCSCC3

InChI

InChI=1S/C18H24N2O3S/c1-2-3-10-23-15-6-4-14(5-7-15)20-17(21)13-16(18(20)22)19-8-11-24-12-9-19/h4-7,16H,2-3,8-13H2,1H3/p+1