(3R)-4-(2,3-dihydro-1H-inden-2-yl)-3-(2-oxidanylidene-2-thiomorpholin-4-yl-ethyl)piperazin-4-ium-2-one

Systemtic Name: (3R)-4-(2,3-dihydro-1H-inden-2-yl)-3-(2-oxidanylidene-2-thiomorpholin-4-yl-ethyl)piperazin-4-ium-2-one Openeye Name: (3R)-4-indan-2-yl-3-(2-oxo-2-thiomorpholino-ethyl)piperazin-4-ium-2-one CAS Name: (3R)-4-(2,3-dihydro-1H-inden-2-yl)-3-(2-oxo-2-thiomorpholin-4-ylethyl)-2-piperazin-4-iumone IUPAC Name: (3R)-4-(2,3-dihydro-1H-inden-2-yl)-3-(2-oxo-2-thiomorpholin-4-ylethyl)piperazin-4-ium-2-one Traditional Name: (3R)-4-indan-2-yl-3-(2-keto-2-thiomorpholino-ethyl)piperazin-4-ium-2-one Formula: C19H26N3O2S+ MolecularWeight: 360.49364

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C(C(=O)N1)CC(=O)N2CCSCC2)C3CC4=CC=CC=C4C3

Isomeric SMILES

C1C[NH+]([C@@H](C(=O)N1)CC(=O)N2CCSCC2)C3CC4=CC=CC=C4C3

InChI

InChI=1S/C19H25N3O2S/c23-18(21-7-9-25-10-8-21)13-17-19(24)20-5-6-22(17)16-11-14-3-1-2-4-15(14)12-16/h1-4,16-17H,5-13H2,(H,20,24)/p+1/t17-/m1/s1