2-phenylsulfanyl-N-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]ethanamide

Systemtic Name: 2-phenylsulfanyl-N-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]ethanamide Openeye Name: 2-phenylsulfanyl-N-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]acetamide CAS Name: 2-(phenylthio)-N-[4-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]acetamide IUPAC Name: 2-phenylsulfanyl-N-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]acetamide Traditional Name: 2-(phenylthio)-N-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]acetamide Formula: C21H27N2O2S+ MolecularWeight: 371.51628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCOC2=CC=C(C=C2)NC(=O)CSC3=CC=CC=C3

Isomeric SMILES

C1CC[NH+](CC1)CCOC2=CC=C(C=C2)NC(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O2S/c24-21(17-26-20-7-3-1-4-8-20)22-18-9-11-19(12-10-18)25-16-15-23-13-5-2-6-14-23/h1,3-4,7-12H,2,5-6,13-17H2,(H,22,24)/p+1