4-[2-(methylsulfonylamino)ethyl]-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]benzamide

Systemtic Name: 4-[2-(methylsulfonylamino)ethyl]-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]benzamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-[2-(methanesulfonamido)ethyl]benzamide CAS Name: 4-[2-(methanesulfonamido)ethyl]-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]benzamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-[2-(methanesulfonamido)ethyl]benzamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-[2-(methanesulfonamido)ethyl]benzamide Formula: C22H30N3O3S+ MolecularWeight: 416.5569

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NCCC1=CC=C(C=C1)C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)NCCC1=CC=C(C=C1)C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H29N3O3S/c1-29(27,28)23-14-11-18-7-9-20(10-8-18)22(26)24-21-12-15-25(16-13-21)17-19-5-3-2-4-6-19/h2-10,21,23H,11-17H2,1H3,(H,24,26)/p+1