N-methyl-3-[2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanoylamino]benzamide

Systemtic Name: N-methyl-3-[2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanoylamino]benzamide Openeye Name: 3-[[2-(4-benzylpiperidin-1-ium-1-yl)acetyl]amino]-N-methyl-benzamide CAS Name: N-methyl-3-[[1-oxo-2-[4-(phenylmethyl)-1-piperidin-1-iumyl]ethyl]amino]benzamide IUPAC Name: 3-[[2-(4-benzylpiperidin-1-ium-1-yl)acetyl]amino]-N-methylbenzamide Traditional Name: 3-[[2-(4-benzylpiperidin-1-ium-1-yl)acetyl]amino]-N-methyl-benzamide Formula: C22H28N3O2+ MolecularWeight: 366.47662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC(=CC=C1)NC(=O)C[NH+]2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

CNC(=O)C1=CC(=CC=C1)NC(=O)C[NH+]2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O2/c1-23-22(27)19-8-5-9-20(15-19)24-21(26)16-25-12-10-18(11-13-25)14-17-6-3-2-4-7-17/h2-9,15,18H,10-14,16H2,1H3,(H,23,27)(H,24,26)/p+1