2-[(2R)-1-(furan-3-ylmethyl)-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(3-methylsulfanylpropyl)ethanamide

Systemtic Name: 2-[(2R)-1-(furan-3-ylmethyl)-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(3-methylsulfanylpropyl)ethanamide Openeye Name: 2-[(2R)-1-(3-furylmethyl)-3-oxo-piperazin-1-ium-2-yl]-N-(3-methylsulfanylpropyl)acetamide CAS Name: 2-[(2R)-1-(3-furanylmethyl)-3-oxo-2-piperazin-1-iumyl]-N-[3-(methylthio)propyl]acetamide IUPAC Name: 2-[(2R)-1-(furan-3-ylmethyl)-3-oxopiperazin-1-ium-2-yl]-N-(3-methylsulfanylpropyl)acetamide Traditional Name: 2-[(2R)-1-(3-furfuryl)-3-keto-piperazin-1-ium-2-yl]-N-[3-(methylthio)propyl]acetamide Formula: C15H24N3O3S+ MolecularWeight: 326.43436

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCNC(=O)CC1C(=O)NCC[NH+]1CC2=COC=C2

Isomeric SMILES

CSCCCNC(=O)C[C@@H]1C(=O)NCC[NH+]1CC2=COC=C2

InChI

InChI=1S/C15H23N3O3S/c1-22-8-2-4-16-14(19)9-13-15(20)17-5-6-18(13)10-12-3-7-21-11-12/h3,7,11,13H,2,4-6,8-10H2,1H3,(H,16,19)(H,17,20)/p+1/t13-/m1/s1