1-[[2,4-bis(chloranyl)phenoxy]methyl]-N-(4-methylpiperazin-4-ium-1-yl)pyrazole-3-carboxamide

Systemtic Name: 1-[[2,4-bis(chloranyl)phenoxy]methyl]-N-(4-methylpiperazin-4-ium-1-yl)pyrazole-3-carboxamide Openeye Name: 1-[(2,4-dichlorophenoxy)methyl]-N-(4-methylpiperazin-4-ium-1-yl)pyrazole-3-carboxamide CAS Name: 1-[(2,4-dichlorophenoxy)methyl]-N-(4-methyl-1-piperazin-4-iumyl)-3-pyrazolecarboxamide IUPAC Name: 1-[(2,4-dichlorophenoxy)methyl]-N-(4-methylpiperazin-4-ium-1-yl)pyrazole-3-carboxamide Traditional Name: 1-[(2,4-dichlorophenoxy)methyl]-N-(4-methylpiperazin-4-ium-1-yl)pyrazole-3-carboxamide Formula: C16H20Cl2N5O2+ MolecularWeight: 385.2683

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC(=O)C2=NN(C=C2)COC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)NC(=O)C2=NN(C=C2)COC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C16H19Cl2N5O2/c1-21-6-8-22(9-7-21)20-16(24)14-4-5-23(19-14)11-25-15-3-2-12(17)10-13(15)18/h2-5,10H,6-9,11H2,1H3,(H,20,24)/p+1