N-[2,6-di(propan-2-yl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[2,6-di(propan-2-yl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(2,6-diisopropylphenyl)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[2,6-di(propan-2-yl)phenyl]-2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[2,6-di(propan-2-yl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(2,6-diisopropylphenyl)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetamide Formula: C23H33N4O+ MolecularWeight: 381.53432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=N3

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=N3

InChI

InChI=1S/C23H32N4O/c1-17(2)19-8-7-9-20(18(3)4)23(19)25-22(28)16-26-12-14-27(15-13-26)21-10-5-6-11-24-21/h5-11,17-18H,12-16H2,1-4H3,(H,25,28)/p+1