N-[4-(azepan-1-yl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[4-(1-azepanyl)phenyl]-2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetamide Formula: C23H32N5O+ MolecularWeight: 394.53308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C23H31N5O/c29-23(19-26-15-17-28(18-16-26)22-7-3-4-12-24-22)25-20-8-10-21(11-9-20)27-13-5-1-2-6-14-27/h3-4,7-12H,1-2,5-6,13-19H2,(H,25,29)/p+1