4-(piperidin-1-ium-1-ylmethyl)-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]benzamide

Systemtic Name: 4-(piperidin-1-ium-1-ylmethyl)-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]benzamide Openeye Name: 4-(piperidin-1-ium-1-ylmethyl)-N-[2-(3-thienylmethylsulfanyl)ethyl]benzamide CAS Name: 4-(1-piperidin-1-iumylmethyl)-N-[2-(3-thiophenylmethylthio)ethyl]benzamide IUPAC Name: 4-(piperidin-1-ium-1-ylmethyl)-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]benzamide Traditional Name: 4-(piperidin-1-ium-1-ylmethyl)-N-[2-(3-thenylthio)ethyl]benzamide Formula: C20H27N2OS2+ MolecularWeight: 375.57118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)C(=O)NCCSCC3=CSC=C3

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)C(=O)NCCSCC3=CSC=C3

InChI

InChI=1S/C20H26N2OS2/c23-20(21-9-13-25-16-18-8-12-24-15-18)19-6-4-17(5-7-19)14-22-10-2-1-3-11-22/h4-8,12,15H,1-3,9-11,13-14,16H2,(H,21,23)/p+1