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

Systemtic Name: 2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(3-methylsulfanylpropyl)ethanamide Openeye Name: 2-[(2R)-1-[(5-methyl-2-furyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-(3-methylsulfanylpropyl)acetamide CAS Name: 2-[(2R)-1-[(5-methyl-2-furanyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-[3-(methylthio)propyl]acetamide IUPAC Name: 2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-(3-methylsulfanylpropyl)acetamide Traditional Name: 2-[(2R)-3-keto-1-[(5-methyl-2-furyl)methyl]piperazin-1-ium-2-yl]-N-[3-(methylthio)propyl]acetamide Formula: C16H26N3O3S+ MolecularWeight: 340.46094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O3S/c1-12-4-5-13(22-12)11-19-8-7-18-16(21)14(19)10-15(20)17-6-3-9-23-2/h4-5,14H,3,6-11H2,1-2H3,(H,17,20)(H,18,21)/p+1/t14-/m1/s1