2-[4-methyl-2-oxidanylidene-4-(phenylmethyl)piperazin-4-ium-1-yl]-N-[2-(phenylmethylsulfanyl)ethyl]ethanamide

Systemtic Name: 2-[4-methyl-2-oxidanylidene-4-(phenylmethyl)piperazin-4-ium-1-yl]-N-[2-(phenylmethylsulfanyl)ethyl]ethanamide Openeye Name: 2-(4-benzyl-4-methyl-2-oxo-piperazin-4-ium-1-yl)-N-(2-benzylsulfanylethyl)acetamide CAS Name: 2-[4-methyl-2-oxo-4-(phenylmethyl)-1-piperazin-4-iumyl]-N-[2-(phenylmethylthio)ethyl]acetamide IUPAC Name: 2-(4-benzyl-4-methyl-2-oxopiperazin-4-ium-1-yl)-N-(2-benzylsulfanylethyl)acetamide Traditional Name: 2-(4-benzyl-2-keto-4-methyl-piperazin-4-ium-1-yl)-N-[2-(benzylthio)ethyl]acetamide Formula: C23H30N3O2S+ MolecularWeight: 412.5682

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(C(=O)C1)CC(=O)NCCSCC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

C[N+]1(CCN(C(=O)C1)CC(=O)NCCSCC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C23H29N3O2S/c1-26(17-20-8-4-2-5-9-20)14-13-25(23(28)18-26)16-22(27)24-12-15-29-19-21-10-6-3-7-11-21/h2-11H,12-19H2,1H3/p+1