2-(azocan-1-ium-1-yl)-N-(3-methylsulfanylphenyl)ethanamide

Systemtic Name: 2-(azocan-1-ium-1-yl)-N-(3-methylsulfanylphenyl)ethanamide Openeye Name: 2-(azocan-1-ium-1-yl)-N-(3-methylsulfanylphenyl)acetamide CAS Name: 2-(1-azocan-1-iumyl)-N-[3-(methylthio)phenyl]acetamide IUPAC Name: 2-(azocan-1-ium-1-yl)-N-(3-methylsulfanylphenyl)acetamide Traditional Name: 2-(azocan-1-ium-1-yl)-N-[3-(methylthio)phenyl]acetamide Formula: C16H25N2OS+ MolecularWeight: 293.4475

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C[NH+]2CCCCCCC2

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C[NH+]2CCCCCCC2

InChI

InChI=1S/C16H24N2OS/c1-20-15-9-7-8-14(12-15)17-16(19)13-18-10-5-3-2-4-6-11-18/h7-9,12H,2-6,10-11,13H2,1H3,(H,17,19)/p+1