N-(2-methylsulfanylethyl)-2-[(2R)-3-oxidanylidene-1-[(4-phenylphenyl)methyl]piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-(2-methylsulfanylethyl)-2-[(2R)-3-oxidanylidene-1-[(4-phenylphenyl)methyl]piperazin-1-ium-2-yl]ethanamide Openeye Name: N-(2-methylsulfanylethyl)-2-[(2R)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-1-ium-2-yl]acetamide CAS Name: N-[2-(methylthio)ethyl]-2-[(2R)-3-oxo-1-[(4-phenylphenyl)methyl]-2-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-methylsulfanylethyl)-2-[(2R)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[(2R)-3-keto-1-(4-phenylbenzyl)piperazin-1-ium-2-yl]-N-[2-(methylthio)ethyl]acetamide Formula: C22H28N3O2S+ MolecularWeight: 398.54162

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Descriptors Computed from Structure

Canonical SMILES:

CSCCNC(=O)CC1C(=O)NCC[NH+]1CC2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CSCCNC(=O)C[C@@H]1C(=O)NCC[NH+]1CC2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H27N3O2S/c1-28-14-12-23-21(26)15-20-22(27)24-11-13-25(20)16-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h2-10,20H,11-16H2,1H3,(H,23,26)(H,24,27)/p+1/t20-/m1/s1