N-(2-propan-2-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(2-propan-2-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(2-isopropylphenyl)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-propan-2-ylphenyl)-2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-propan-2-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-o-cumenyl-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetamide Formula: C20H27N4O+ MolecularWeight: 339.45458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=N3

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=N3

InChI

InChI=1S/C20H26N4O/c1-16(2)17-7-3-4-8-18(17)22-20(25)15-23-11-13-24(14-12-23)19-9-5-6-10-21-19/h3-10,16H,11-15H2,1-2H3,(H,22,25)/p+1