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

Systemtic Name: 2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[(3-methylsulfanylphenyl)methyl]ethanamide Openeye Name: 2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-[(3-methylsulfanylphenyl)methyl]acetamide CAS Name: 2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-[[3-(methylthio)phenyl]methyl]acetamide IUPAC Name: 2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-[(3-methylsulfanylphenyl)methyl]acetamide Traditional Name: 2-[(2R)-3-keto-1-m-anisyl-piperazin-1-ium-2-yl]-N-[3-(methylthio)benzyl]acetamide Formula: C22H28N3O3S+ MolecularWeight: 414.54102

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C[NH+]2CCNC(=O)C2CC(=O)NCC3=CC(=CC=C3)SC

Isomeric SMILES

COC1=CC=CC(=C1)C[NH+]2CCNC(=O)[C@H]2CC(=O)NCC3=CC(=CC=C3)SC

InChI

InChI=1S/C22H27N3O3S/c1-28-18-7-3-6-17(11-18)15-25-10-9-23-22(27)20(25)13-21(26)24-14-16-5-4-8-19(12-16)29-2/h3-8,11-12,20H,9-10,13-15H2,1-2H3,(H,23,27)(H,24,26)/p+1/t20-/m1/s1