N-(2,6-dimethylphenyl)-2-[4-(1H-pyrazol-4-ylcarbonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-(1H-pyrazol-4-ylcarbonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-(1H-pyrazole-4-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[oxo(1H-pyrazol-4-yl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-(1H-pyrazole-4-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-(1H-pyrazole-4-carbonyl)piperazin-1-ium-1-yl]acetamide Formula: C18H24N5O2+ MolecularWeight: 342.41546

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=CNN=C3

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5O2/c1-13-4-3-5-14(2)17(13)21-16(24)12-22-6-8-23(9-7-22)18(25)15-10-19-20-11-15/h3-5,10-11H,6-9,12H2,1-2H3,(H,19,20)(H,21,24)/p+1