2-[4-(6-chloranylpyridin-3-yl)carbonylpiperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)ethanamide

Systemtic Name: 2-[4-(6-chloranylpyridin-3-yl)carbonylpiperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)ethanamide Openeye Name: 2-[4-(6-chloropyridine-3-carbonyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide CAS Name: 2-[4-[(6-chloro-3-pyridinyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(2,6-dimethylphenyl)acetamide IUPAC Name: 2-[4-(6-chloropyridine-3-carbonyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide Traditional Name: 2-[4-(6-chloronicotinoyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide Formula: C20H24ClN4O2+ MolecularWeight: 387.88316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CN=C(C=C3)Cl

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CN=C(C=C3)Cl

InChI

InChI=1S/C20H23ClN4O2/c1-14-4-3-5-15(2)19(14)23-18(26)13-24-8-10-25(11-9-24)20(27)16-6-7-17(21)22-12-16/h3-7,12H,8-11,13H2,1-2H3,(H,23,26)/p+1