5-chloranyl-3-methyl-N-(4-methylpiperazin-4-ium-1-yl)-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: 5-chloranyl-3-methyl-N-(4-methylpiperazin-4-ium-1-yl)-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-5-chloro-3-methyl-N-(4-methylpiperazin-4-ium-1-yl)pyrazole-4-carboxamide CAS Name: 5-chloro-3-methyl-N-(4-methyl-1-piperazin-4-iumyl)-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-5-chloro-3-methyl-N-(4-methylpiperazin-4-ium-1-yl)pyrazole-4-carboxamide Traditional Name: 1-benzyl-5-chloro-3-methyl-N-(4-methylpiperazin-4-ium-1-yl)pyrazole-4-carboxamide Formula: C17H23ClN5O+ MolecularWeight: 348.85042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NN2CC[NH+](CC2)C)Cl)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)NN2CC[NH+](CC2)C)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C17H22ClN5O/c1-13-15(17(24)20-22-10-8-21(2)9-11-22)16(18)23(19-13)12-14-6-4-3-5-7-14/h3-7H,8-12H2,1-2H3,(H,20,24)/p+1