(3R)-4-[(4-fluorophenyl)methyl]-3-(2-oxidanylidene-2-thiomorpholin-4-yl-ethyl)piperazin-4-ium-2-one

Systemtic Name: (3R)-4-[(4-fluorophenyl)methyl]-3-(2-oxidanylidene-2-thiomorpholin-4-yl-ethyl)piperazin-4-ium-2-one Openeye Name: (3R)-4-[(4-fluorophenyl)methyl]-3-(2-oxo-2-thiomorpholino-ethyl)piperazin-4-ium-2-one CAS Name: (3R)-4-[(4-fluorophenyl)methyl]-3-(2-oxo-2-thiomorpholin-4-ylethyl)-2-piperazin-4-iumone IUPAC Name: (3R)-4-[(4-fluorophenyl)methyl]-3-(2-oxo-2-thiomorpholin-4-ylethyl)piperazin-4-ium-2-one Traditional Name: (3R)-4-(4-fluorobenzyl)-3-(2-keto-2-thiomorpholino-ethyl)piperazin-4-ium-2-one Formula: C17H23FN3O2S+ MolecularWeight: 352.446823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22FN3O2S/c18-14-3-1-13(2-4-14)12-21-6-5-19-17(23)15(21)11-16(22)20-7-9-24-10-8-20/h1-4,15H,5-12H2,(H,19,23)/p+1/t15-/m1/s1