2-(azocan-1-ium-1-yl)-N-[2-(cyanomethylsulfanyl)phenyl]ethanamide

Systemtic Name: 2-(azocan-1-ium-1-yl)-N-[2-(cyanomethylsulfanyl)phenyl]ethanamide Openeye Name: 2-(azocan-1-ium-1-yl)-N-[2-(cyanomethylsulfanyl)phenyl]acetamide CAS Name: 2-(1-azocan-1-iumyl)-N-[2-(cyanomethylthio)phenyl]acetamide IUPAC Name: 2-(azocan-1-ium-1-yl)-N-[2-(cyanomethylsulfanyl)phenyl]acetamide Traditional Name: 2-(azocan-1-ium-1-yl)-N-[2-(cyanomethylthio)phenyl]acetamide Formula: C17H24N3OS+ MolecularWeight: 318.45696

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CCC1)CC(=O)NC2=CC=CC=C2SCC#N

Isomeric SMILES

C1CCC[NH+](CCC1)CC(=O)NC2=CC=CC=C2SCC#N

InChI

InChI=1S/C17H23N3OS/c18-10-13-22-16-9-5-4-8-15(16)19-17(21)14-20-11-6-2-1-3-7-12-20/h4-5,8-9H,1-3,6-7,11-14H2,(H,19,21)/p+1