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

Systemtic Name: (3R)-4-(2-methylpropyl)-3-(2-oxidanylidene-2-thiomorpholin-4-yl-ethyl)piperazin-4-ium-2-one Openeye Name: (3R)-4-isobutyl-3-(2-oxo-2-thiomorpholino-ethyl)piperazin-4-ium-2-one CAS Name: (3R)-4-(2-methylpropyl)-3-(2-oxo-2-thiomorpholin-4-ylethyl)-2-piperazin-4-iumone IUPAC Name: (3R)-4-(2-methylpropyl)-3-(2-oxo-2-thiomorpholin-4-ylethyl)piperazin-4-ium-2-one Traditional Name: (3R)-4-isobutyl-3-(2-keto-2-thiomorpholino-ethyl)piperazin-4-ium-2-one Formula: C14H26N3O2S+ MolecularWeight: 300.44014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+]1CCNC(=O)C1CC(=O)N2CCSCC2

Isomeric SMILES

CC(C)C[NH+]1CCNC(=O)[C@H]1CC(=O)N2CCSCC2

InChI

InChI=1S/C14H25N3O2S/c1-11(2)10-17-4-3-15-14(19)12(17)9-13(18)16-5-7-20-8-6-16/h11-12H,3-10H2,1-2H3,(H,15,19)/p+1/t12-/m1/s1