N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide CAS Name: 2-(4-benzoyl-1-piperazin-1-iumyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide IUPAC Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide Traditional Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide Formula: C18H24N5O2+ MolecularWeight: 342.41546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NN1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3

InChI

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