N-[(1R)-1-phenylethyl]-2-(2-piperidin-1-ium-1-ylethanoylamino)benzamide

Systemtic Name: N-[(1R)-1-phenylethyl]-2-(2-piperidin-1-ium-1-ylethanoylamino)benzamide Openeye Name: N-[(1R)-1-phenylethyl]-2-[(2-piperidin-1-ium-1-ylacetyl)amino]benzamide CAS Name: 2-[[1-oxo-2-(1-piperidin-1-iumyl)ethyl]amino]-N-[(1R)-1-phenylethyl]benzamide IUPAC Name: N-[(1R)-1-phenylethyl]-2-[(2-piperidin-1-ium-1-ylacetyl)amino]benzamide Traditional Name: N-[(1R)-1-phenylethyl]-2-[(2-piperidin-1-ium-1-ylacetyl)amino]benzamide Formula: C22H28N3O2+ MolecularWeight: 366.47662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCCCC3

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCCCC3

InChI

InChI=1S/C22H27N3O2/c1-17(18-10-4-2-5-11-18)23-22(27)19-12-6-7-13-20(19)24-21(26)16-25-14-8-3-9-15-25/h2,4-7,10-13,17H,3,8-9,14-16H2,1H3,(H,23,27)(H,24,26)/p+1/t17-/m1/s1