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

Systemtic Name: 4-(3,5-dimethylpyrazol-1-yl)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide Openeye Name: 4-(3,5-dimethylpyrazol-1-yl)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide CAS Name: 4-(3,5-dimethyl-1-pyrazolyl)-N-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]benzamide IUPAC Name: 4-(3,5-dimethylpyrazol-1-yl)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide Traditional Name: 4-(3,5-dimethylpyrazol-1-yl)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide Formula: C23H28N5O+ MolecularWeight: 390.50132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N5O/c1-17-16-18(2)28(25-17)22-8-4-19(5-9-22)23(29)24-20-6-10-21(11-7-20)27-14-12-26(3)13-15-27/h4-11,16H,12-15H2,1-3H3,(H,24,29)/p+1