4-(1,3-dithiolan-2-yl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 4-(1,3-dithiolan-2-yl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 4-(1,3-dithiolan-2-yl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 4-(1,3-dithiolan-2-yl)-N-[[2-(1-piperidin-1-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 4-(1,3-dithiolan-2-yl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 4-(1,3-dithiolan-2-yl)-N-[2-(piperidin-1-ium-1-ylmethyl)benzyl]benzamide Formula: C23H29N2OS2+ MolecularWeight: 413.61916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=O)C3=CC=C(C=C3)C4SCCS4

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=O)C3=CC=C(C=C3)C4SCCS4

InChI

InChI=1S/C23H28N2OS2/c26-22(18-8-10-19(11-9-18)23-27-14-15-28-23)24-16-20-6-2-3-7-21(20)17-25-12-4-1-5-13-25/h2-3,6-11,23H,1,4-5,12-17H2,(H,24,26)/p+1