4-(methylsulfonylmethyl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 4-(methylsulfonylmethyl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 4-(methylsulfonylmethyl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 4-(methylsulfonylmethyl)-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 4-(methylsulfonylmethyl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 4-(mesylmethyl)-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]benzamide Formula: C22H29N2O3S+ MolecularWeight: 401.54226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC1=CC=C(C=C1)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3

Isomeric SMILES

CS(=O)(=O)CC1=CC=C(C=C1)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3

InChI

InChI=1S/C22H28N2O3S/c1-28(26,27)17-20-9-11-21(12-10-20)22(25)23-15-18-5-7-19(8-6-18)16-24-13-3-2-4-14-24/h5-12H,2-4,13-17H2,1H3,(H,23,25)/p+1