N-(2-methyl-2-piperidin-1-ium-1-yl-propyl)-2-naphthalen-2-ylsulfanyl-ethanamide

Systemtic Name: N-(2-methyl-2-piperidin-1-ium-1-yl-propyl)-2-naphthalen-2-ylsulfanyl-ethanamide Openeye Name: N-(2-methyl-2-piperidin-1-ium-1-yl-propyl)-2-(2-naphthylsulfanyl)acetamide CAS Name: N-[2-methyl-2-(1-piperidin-1-iumyl)propyl]-2-(2-naphthalenylthio)acetamide IUPAC Name: N-(2-methyl-2-piperidin-1-ium-1-ylpropyl)-2-naphthalen-2-ylsulfanylacetamide Traditional Name: N-(2-methyl-2-piperidin-1-ium-1-yl-propyl)-2-(2-naphthylthio)acetamide Formula: C21H29N2OS+ MolecularWeight: 357.53276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)CSC1=CC2=CC=CC=C2C=C1)[NH+]3CCCCC3

Isomeric SMILES

CC(C)(CNC(=O)CSC1=CC2=CC=CC=C2C=C1)[NH+]3CCCCC3

InChI

InChI=1S/C21H28N2OS/c1-21(2,23-12-6-3-7-13-23)16-22-20(24)15-25-19-11-10-17-8-4-5-9-18(17)14-19/h4-5,8-11,14H,3,6-7,12-13,15-16H2,1-2H3,(H,22,24)/p+1