2-(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)-N-(4-methylsulfanylphenyl)ethanamide

Systemtic Name: 2-(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)-N-(4-methylsulfanylphenyl)ethanamide Openeye Name: 2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(4-methylsulfanylphenyl)acetamide CAS Name: 2-[4-[cyclopropyl(oxo)methyl]-1-piperazin-1-iumyl]-N-[4-(methylthio)phenyl]acetamide IUPAC Name: 2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(4-methylsulfanylphenyl)acetamide Traditional Name: 2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-[4-(methylthio)phenyl]acetamide Formula: C17H24N3O2S+ MolecularWeight: 334.45636

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3CC3

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3CC3

InChI

InChI=1S/C17H23N3O2S/c1-23-15-6-4-14(5-7-15)18-16(21)12-19-8-10-20(11-9-19)17(22)13-2-3-13/h4-7,13H,2-3,8-12H2,1H3,(H,18,21)/p+1