2-[1-(2,6-dimethylphenyl)-4-methanoyl-piperazin-1-ium-1-yl]ethanamide

Systemtic Name: 2-[1-(2,6-dimethylphenyl)-4-methanoyl-piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[1-(2,6-dimethylphenyl)-4-formyl-piperazin-1-ium-1-yl]acetamide CAS Name: 2-[1-(2,6-dimethylphenyl)-4-formyl-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-[1-(2,6-dimethylphenyl)-4-formylpiperazin-1-ium-1-yl]acetamide Traditional Name: 2-[1-(2,6-dimethylphenyl)-4-formyl-piperazin-1-ium-1-yl]acetamide Formula: C15H22N3O2+ MolecularWeight: 276.35408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)[N+]2(CCN(CC2)C=O)CC(=O)N

Isomeric SMILES

CC1=C(C(=CC=C1)C)[N+]2(CCN(CC2)C=O)CC(=O)N

InChI

InChI=1S/C15H21N3O2/c1-12-4-3-5-13(2)15(12)18(10-14(16)20)8-6-17(11-19)7-9-18/h3-5,11H,6-10H2,1-2H3,(H-,16,20)/p+1