(3R)-4-[(5-methylfuran-2-yl)methyl]-3-(2-oxidanylidene-2-thiomorpholin-4-yl-ethyl)piperazin-4-ium-2-one

Systemtic Name: (3R)-4-[(5-methylfuran-2-yl)methyl]-3-(2-oxidanylidene-2-thiomorpholin-4-yl-ethyl)piperazin-4-ium-2-one Openeye Name: (3R)-4-[(5-methyl-2-furyl)methyl]-3-(2-oxo-2-thiomorpholino-ethyl)piperazin-4-ium-2-one CAS Name: (3R)-4-[(5-methyl-2-furanyl)methyl]-3-(2-oxo-2-thiomorpholin-4-ylethyl)-2-piperazin-4-iumone IUPAC Name: (3R)-4-[(5-methylfuran-2-yl)methyl]-3-(2-oxo-2-thiomorpholin-4-ylethyl)piperazin-4-ium-2-one Traditional Name: (3R)-3-(2-keto-2-thiomorpholino-ethyl)-4-[(5-methyl-2-furyl)methyl]piperazin-4-ium-2-one Formula: C16H24N3O3S+ MolecularWeight: 338.44506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C[NH+]2CCNC(=O)C2CC(=O)N3CCSCC3

Isomeric SMILES

CC1=CC=C(O1)C[NH+]2CCNC(=O)[C@H]2CC(=O)N3CCSCC3

InChI

InChI=1S/C16H23N3O3S/c1-12-2-3-13(22-12)11-19-5-4-17-16(21)14(19)10-15(20)18-6-8-23-9-7-18/h2-3,14H,4-11H2,1H3,(H,17,21)/p+1/t14-/m1/s1