2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(2-methylsulfanylethyl)ethanamide

Systemtic Name: 2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(2-methylsulfanylethyl)ethanamide Openeye Name: 2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-(2-methylsulfanylethyl)acetamide CAS Name: 2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-[2-(methylthio)ethyl]acetamide IUPAC Name: 2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-(2-methylsulfanylethyl)acetamide Traditional Name: 2-[(2R)-1-(3,5-dimethoxybenzyl)-3-keto-piperazin-1-ium-2-yl]-N-[2-(methylthio)ethyl]acetamide Formula: C18H28N3O4S+ MolecularWeight: 382.49762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O4S/c1-24-14-8-13(9-15(10-14)25-2)12-21-6-4-20-18(23)16(21)11-17(22)19-5-7-26-3/h8-10,16H,4-7,11-12H2,1-3H3,(H,19,22)(H,20,23)/p+1/t16-/m1/s1