2-(azepan-1-ium-1-yl)-N-(2-methylsulfanylphenyl)ethanamide

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-(2-methylsulfanylphenyl)ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-(2-methylsulfanylphenyl)acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-[2-(methylthio)phenyl]acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-(2-methylsulfanylphenyl)acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-[2-(methylthio)phenyl]acetamide Formula: C15H23N2OS+ MolecularWeight: 279.42092

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)C[NH+]2CCCCCC2

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)C[NH+]2CCCCCC2

InChI

InChI=1S/C15H22N2OS/c1-19-14-9-5-4-8-13(14)16-15(18)12-17-10-6-2-3-7-11-17/h4-5,8-9H,2-3,6-7,10-12H2,1H3,(H,16,18)/p+1