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

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-(3-methylphenyl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-(3-methylbenzoyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[(3-methylphenyl)-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-(3-methylbenzoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-(4-m-toluoylpiperazin-1-ium-1-yl)acetamide Formula: C22H28N3O2+ MolecularWeight: 366.47662

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=CC(=CC=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O2/c1-16-6-4-9-19(14-16)22(27)25-12-10-24(11-13-25)15-20(26)23-21-17(2)7-5-8-18(21)3/h4-9,14H,10-13,15H2,1-3H3,(H,23,26)/p+1