N-[(1-methylpiperidin-1-ium-4-yl)methyl]-2-methylsulfanyl-N-phenethyl-ethanamide

Systemtic Name: N-[(1-methylpiperidin-1-ium-4-yl)methyl]-2-methylsulfanyl-N-phenethyl-ethanamide Openeye Name: N-[(1-methylpiperidin-1-ium-4-yl)methyl]-2-methylsulfanyl-N-phenethyl-acetamide CAS Name: N-[(1-methyl-4-piperidin-1-iumyl)methyl]-2-(methylthio)-N-phenethylacetamide IUPAC Name: N-[(1-methylpiperidin-1-ium-4-yl)methyl]-2-methylsulfanyl-N-phenethylacetamide Traditional Name: N-[(1-methylpiperidin-1-ium-4-yl)methyl]-2-(methylthio)-N-phenethyl-acetamide Formula: C18H29N2OS+ MolecularWeight: 321.50066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)CN(CCC2=CC=CC=C2)C(=O)CSC

Isomeric SMILES

C[NH+]1CCC(CC1)CN(CCC2=CC=CC=C2)C(=O)CSC

InChI

InChI=1S/C18H28N2OS/c1-19-11-8-17(9-12-19)14-20(18(21)15-22-2)13-10-16-6-4-3-5-7-16/h3-7,17H,8-15H2,1-2H3/p+1