N-[(1S)-1-phenylbutyl]-4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxy-benzamide

Systemtic Name: N-[(1S)-1-phenylbutyl]-4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxy-benzamide Openeye Name: N-[(1S)-1-phenylbutyl]-4-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]oxy-benzamide CAS Name: N-[(1S)-1-phenylbutyl]-4-[[1-(2-pyridinylmethyl)-4-piperidin-1-iumyl]oxy]benzamide IUPAC Name: N-[(1S)-1-phenylbutyl]-4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxybenzamide Traditional Name: N-[(1S)-1-phenylbutyl]-4-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]oxy-benzamide Formula: C28H34N3O2+ MolecularWeight: 444.58846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CC4=CC=CC=N4

Isomeric SMILES

CCC[C@@H](C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CC4=CC=CC=N4

InChI

InChI=1S/C28H33N3O2/c1-2-8-27(22-9-4-3-5-10-22)30-28(32)23-12-14-25(15-13-23)33-26-16-19-31(20-17-26)21-24-11-6-7-18-29-24/h3-7,9-15,18,26-27H,2,8,16-17,19-21H2,1H3,(H,30,32)/p+1/t27-/m0/s1