(3R)-3-(2-oxidanylidene-2-thiomorpholin-4-yl-ethyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-2-one

Systemtic Name: (3R)-3-(2-oxidanylidene-2-thiomorpholin-4-yl-ethyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-2-one Openeye Name: (3R)-4-[(E)-cinnamyl]-3-(2-oxo-2-thiomorpholino-ethyl)piperazin-4-ium-2-one CAS Name: (3R)-3-(2-oxo-2-thiomorpholin-4-ylethyl)-4-[(E)-3-phenylprop-2-enyl]-2-piperazin-4-iumone IUPAC Name: (3R)-3-(2-oxo-2-thiomorpholin-4-ylethyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-2-one Traditional Name: (3R)-4-[(E)-cinnamyl]-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)CC=CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O2S/c23-18(22-11-13-25-14-12-22)15-17-19(24)20-8-10-21(17)9-4-7-16-5-2-1-3-6-16/h1-7,17H,8-15H2,(H,20,24)/p+1/b7-4+/t17-/m1/s1