2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(2-thiophen-2-ylethyl)ethanamide

Systemtic Name: 2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(2-thiophen-2-ylethyl)ethanamide Openeye Name: 2-[(2R)-1-[(5-methyl-2-furyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-[2-(2-thienyl)ethyl]acetamide CAS Name: 2-[(2R)-1-[(5-methyl-2-furanyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-(2-thiophen-2-ylethyl)acetamide IUPAC Name: 2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-(2-thiophen-2-ylethyl)acetamide Traditional Name: 2-[(2R)-3-keto-1-[(5-methyl-2-furyl)methyl]piperazin-1-ium-2-yl]-N-[2-(2-thienyl)ethyl]acetamide Formula: C18H24N3O3S+ MolecularWeight: 362.46646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C[NH+]2CCNC(=O)C2CC(=O)NCCC3=CC=CS3

Isomeric SMILES

CC1=CC=C(O1)C[NH+]2CCNC(=O)[C@H]2CC(=O)NCCC3=CC=CS3

InChI

InChI=1S/C18H23N3O3S/c1-13-4-5-14(24-13)12-21-9-8-20-18(23)16(21)11-17(22)19-7-6-15-3-2-10-25-15/h2-5,10,16H,6-9,11-12H2,1H3,(H,19,22)(H,20,23)/p+1/t16-/m1/s1