3,5-dimethyl-N-(4-methylpiperazin-4-ium-1-yl)-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: 3,5-dimethyl-N-(4-methylpiperazin-4-ium-1-yl)-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-3,5-dimethyl-N-(4-methylpiperazin-4-ium-1-yl)pyrazole-4-carboxamide CAS Name: 3,5-dimethyl-N-(4-methyl-1-piperazin-4-iumyl)-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-3,5-dimethyl-N-(4-methylpiperazin-4-ium-1-yl)pyrazole-4-carboxamide Traditional Name: 1-benzyl-3,5-dimethyl-N-(4-methylpiperazin-4-ium-1-yl)pyrazole-4-carboxamide Formula: C18H26N5O+ MolecularWeight: 328.43194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)NN3CC[NH+](CC3)C

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)NN3CC[NH+](CC3)C

InChI

InChI=1S/C18H25N5O/c1-14-17(18(24)20-22-11-9-21(3)10-12-22)15(2)23(19-14)13-16-7-5-4-6-8-16/h4-8H,9-13H2,1-3H3,(H,20,24)/p+1