2-[(2R)-1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(3-methylsulfanylpropyl)ethanamide

Systemtic Name: 2-[(2R)-1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(3-methylsulfanylpropyl)ethanamide Openeye Name: 2-[(2R)-1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-(3-methylsulfanylpropyl)acetamide CAS Name: 2-[(2R)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-[3-(methylthio)propyl]acetamide IUPAC Name: 2-[(2R)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-(3-methylsulfanylpropyl)acetamide Traditional Name: 2-[(2R)-3-keto-1-(4-methoxy-2,3-dimethyl-benzyl)piperazin-1-ium-2-yl]-N-[3-(methylthio)propyl]acetamide Formula: C20H32N3O3S+ MolecularWeight: 394.55138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C)OC)C[NH+]2CCNC(=O)C2CC(=O)NCCCSC

Isomeric SMILES

CC1=C(C=CC(=C1C)OC)C[NH+]2CCNC(=O)[C@H]2CC(=O)NCCCSC

InChI

InChI=1S/C20H31N3O3S/c1-14-15(2)18(26-3)7-6-16(14)13-23-10-9-22-20(25)17(23)12-19(24)21-8-5-11-27-4/h6-7,17H,5,8-13H2,1-4H3,(H,21,24)(H,22,25)/p+1/t17-/m1/s1