4-(3,5-dimethylpyrazol-1-yl)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]benzamide

Systemtic Name: 4-(3,5-dimethylpyrazol-1-yl)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]benzamide Openeye Name: 4-(3,5-dimethylpyrazol-1-yl)-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]benzamide CAS Name: 4-(3,5-dimethyl-1-pyrazolyl)-N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]benzamide IUPAC Name: 4-(3,5-dimethylpyrazol-1-yl)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]benzamide Traditional Name: 4-(3,5-dimethylpyrazol-1-yl)-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]benzamide Formula: C22H27N6O+ MolecularWeight: 391.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)NC3=CN=C(C=C3)N4CC[NH+](CC4)C)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)NC3=CN=C(C=C3)N4CC[NH+](CC4)C)C

InChI

InChI=1S/C22H26N6O/c1-16-14-17(2)28(25-16)20-7-4-18(5-8-20)22(29)24-19-6-9-21(23-15-19)27-12-10-26(3)11-13-27/h4-9,14-15H,10-13H2,1-3H3,(H,24,29)/p+1