N-[[2-(4-ethanoylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-5-phenyl-pentanamide

Systemtic Name: N-[[2-(4-ethanoylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-5-phenyl-pentanamide Openeye Name: N-[[2-(4-acetylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-5-phenyl-pentanamide CAS Name: N-[[2-(4-acetyl-1-piperazinyl)-3-pyridin-1-iumyl]methyl]-5-phenylpentanamide IUPAC Name: N-[[2-(4-acetylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-5-phenylpentanamide Traditional Name: N-[[2-(4-acetylpiperazino)pyridin-1-ium-3-yl]methyl]-5-phenyl-valeramide Formula: C23H31N4O2+ MolecularWeight: 395.51784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=CC=[NH+]2)CNC(=O)CCCCC3=CC=CC=C3

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=CC=[NH+]2)CNC(=O)CCCCC3=CC=CC=C3

InChI

InChI=1S/C23H30N4O2/c1-19(28)26-14-16-27(17-15-26)23-21(11-7-13-24-23)18-25-22(29)12-6-5-10-20-8-3-2-4-9-20/h2-4,7-9,11,13H,5-6,10,12,14-18H2,1H3,(H,25,29)/p+1