(3R)-4-(furan-3-ylmethyl)-3-(2-oxidanylidene-2-thiomorpholin-4-yl-ethyl)piperazin-4-ium-2-one

Systemtic Name: (3R)-4-(furan-3-ylmethyl)-3-(2-oxidanylidene-2-thiomorpholin-4-yl-ethyl)piperazin-4-ium-2-one Openeye Name: (3R)-4-(3-furylmethyl)-3-(2-oxo-2-thiomorpholino-ethyl)piperazin-4-ium-2-one CAS Name: (3R)-4-(3-furanylmethyl)-3-(2-oxo-2-thiomorpholin-4-ylethyl)-2-piperazin-4-iumone IUPAC Name: (3R)-4-(furan-3-ylmethyl)-3-(2-oxo-2-thiomorpholin-4-ylethyl)piperazin-4-ium-2-one Traditional Name: (3R)-4-(3-furfuryl)-3-(2-keto-2-thiomorpholino-ethyl)piperazin-4-ium-2-one Formula: C15H22N3O3S+ MolecularWeight: 324.41848

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C(C(=O)N1)CC(=O)N2CCSCC2)CC3=COC=C3

Isomeric SMILES

C1C[NH+]([C@@H](C(=O)N1)CC(=O)N2CCSCC2)CC3=COC=C3

InChI

InChI=1S/C15H21N3O3S/c19-14(17-4-7-22-8-5-17)9-13-15(20)16-2-3-18(13)10-12-1-6-21-11-12/h1,6,11,13H,2-5,7-10H2,(H,16,20)/p+1/t13-/m1/s1