2-[4-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)carbonylpiperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)ethanamide

Systemtic Name: 2-[4-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)carbonylpiperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)ethanamide Openeye Name: 2-[4-(5-chloro-1,3-dimethyl-pyrazole-4-carbonyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide CAS Name: 2-[4-[(5-chloro-1,3-dimethyl-4-pyrazolyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(2,6-dimethylphenyl)acetamide IUPAC Name: 2-[4-(5-chloro-1,3-dimethylpyrazole-4-carbonyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide Traditional Name: 2-[4-(5-chloro-1,3-dimethyl-pyrazole-4-carbonyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide Formula: C20H27ClN5O2+ MolecularWeight: 404.91368

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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=C(N(N=C3C)C)Cl

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=C(N(N=C3C)C)Cl

InChI

InChI=1S/C20H26ClN5O2/c1-13-6-5-7-14(2)18(13)22-16(27)12-25-8-10-26(11-9-25)20(28)17-15(3)23-24(4)19(17)21/h5-7H,8-12H2,1-4H3,(H,22,27)/p+1