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

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-[1-(phenylmethyl)pyrazol-4-yl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(1-benzylpyrazole-4-carbonyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[oxo-[1-(phenylmethyl)-4-pyrazolyl]methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-[4-(1-benzylpyrazole-4-carbonyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide Traditional Name: 2-[4-(1-benzylpyrazole-4-carbonyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide Formula: C25H30N5O2+ MolecularWeight: 432.538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CN(N=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CN(N=C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H29N5O2/c1-19-7-6-8-20(2)24(19)27-23(31)18-28-11-13-29(14-12-28)25(32)22-15-26-30(17-22)16-21-9-4-3-5-10-21/h3-10,15,17H,11-14,16,18H2,1-2H3,(H,27,31)/p+1