2-[4-(3-methylsulfanylpropanoyl)piperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-(3-methylsulfanylpropanoyl)piperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-(3-methylsulfanylpropanoyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[3-(methylthio)-1-oxopropyl]-1-piperazin-1-iumyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-(3-methylsulfanylpropanoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-benzyl-2-[4-[3-(methylthio)propanoyl]piperazin-1-ium-1-yl]acetamide Formula: C17H26N3O2S+ MolecularWeight: 336.47224

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(=O)N1CC[NH+](CC1)CC(=O)NCC2=CC=CC=C2

Isomeric SMILES

CSCCC(=O)N1CC[NH+](CC1)CC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C17H25N3O2S/c1-23-12-7-17(22)20-10-8-19(9-11-20)14-16(21)18-13-15-5-3-2-4-6-15/h2-6H,7-14H2,1H3,(H,18,21)/p+1