2-(4-acetamidophenyl)sulfanyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]ethanamide

Systemtic Name: 2-(4-acetamidophenyl)sulfanyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]ethanamide Openeye Name: 2-(4-acetamidophenyl)sulfanyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide CAS Name: 2-[(4-acetamidophenyl)thio]-N-[[1-(1-piperidin-1-iumyl)cyclohexyl]methyl]acetamide IUPAC Name: 2-(4-acetamidophenyl)sulfanyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide Traditional Name: 2-[(4-acetamidophenyl)thio]-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide Formula: C22H34N3O2S+ MolecularWeight: 404.58926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)SCC(=O)NCC2(CCCCC2)[NH+]3CCCCC3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SCC(=O)NCC2(CCCCC2)[NH+]3CCCCC3

InChI

InChI=1S/C22H33N3O2S/c1-18(26)24-19-8-10-20(11-9-19)28-16-21(27)23-17-22(12-4-2-5-13-22)25-14-6-3-7-15-25/h8-11H,2-7,12-17H2,1H3,(H,23,27)(H,24,26)/p+1