N-[3-(azepan-1-ium-1-yl)propyl]-2-methylsulfanyl-benzamide

Systemtic Name: N-[3-(azepan-1-ium-1-yl)propyl]-2-methylsulfanyl-benzamide Openeye Name: N-[3-(azepan-1-ium-1-yl)propyl]-2-methylsulfanyl-benzamide CAS Name: N-[3-(1-azepan-1-iumyl)propyl]-2-(methylthio)benzamide IUPAC Name: N-[3-(azepan-1-ium-1-yl)propyl]-2-methylsulfanylbenzamide Traditional Name: N-[3-(azepan-1-ium-1-yl)propyl]-2-(methylthio)benzamide Formula: C17H27N2OS+ MolecularWeight: 307.47408

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)NCCC[NH+]2CCCCCC2

Isomeric SMILES

CSC1=CC=CC=C1C(=O)NCCC[NH+]2CCCCCC2

InChI

InChI=1S/C17H26N2OS/c1-21-16-10-5-4-9-15(16)17(20)18-11-8-14-19-12-6-2-3-7-13-19/h4-5,9-10H,2-3,6-8,11-14H2,1H3,(H,18,20)/p+1