2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(2-methylsulfanylethyl)ethanamide

Systemtic Name: 2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(2-methylsulfanylethyl)ethanamide Openeye Name: 2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-(2-methylsulfanylethyl)acetamide CAS Name: 2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-[2-(methylthio)ethyl]acetamide IUPAC Name: 2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-(2-methylsulfanylethyl)acetamide Traditional Name: 2-[(2R)-3-keto-1-m-anisyl-piperazin-1-ium-2-yl]-N-[2-(methylthio)ethyl]acetamide Formula: C17H26N3O3S+ MolecularWeight: 352.47164

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C[NH+]2CCNC(=O)C2CC(=O)NCCSC

Isomeric SMILES

COC1=CC=CC(=C1)C[NH+]2CCNC(=O)[C@H]2CC(=O)NCCSC

InChI

InChI=1S/C17H25N3O3S/c1-23-14-5-3-4-13(10-14)12-20-8-6-19-17(22)15(20)11-16(21)18-7-9-24-2/h3-5,10,15H,6-9,11-12H2,1-2H3,(H,18,21)(H,19,22)/p+1/t15-/m1/s1