4-tert-butyl-N-[3-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]benzamide

Systemtic Name: 4-tert-butyl-N-[3-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]benzamide Openeye Name: 4-tert-butyl-N-[3-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]benzamide CAS Name: 4-tert-butyl-N-[3-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridazinyl]phenyl]benzamide IUPAC Name: 4-tert-butyl-N-[3-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]benzamide Traditional Name: 4-tert-butyl-N-[3-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]benzamide Formula: C26H32N5O+ MolecularWeight: 430.56518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CC[NH+](CC4)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CC[NH+](CC4)C

InChI

InChI=1S/C26H31N5O/c1-26(2,3)21-10-8-19(9-11-21)25(32)27-22-7-5-6-20(18-22)23-12-13-24(29-28-23)31-16-14-30(4)15-17-31/h5-13,18H,14-17H2,1-4H3,(H,27,32)/p+1