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

Systemtic Name: 2-ethoxy-N-[3-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]benzamide Openeye Name: 2-ethoxy-N-[3-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]benzamide CAS Name: 2-ethoxy-N-[3-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridazinyl]phenyl]benzamide IUPAC Name: 2-ethoxy-N-[3-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]benzamide Traditional Name: 2-ethoxy-N-[3-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]benzamide Formula: C24H28N5O2+ MolecularWeight: 418.51142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CC[NH+](CC4)C

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CC[NH+](CC4)C

InChI

InChI=1S/C24H27N5O2/c1-3-31-22-10-5-4-9-20(22)24(30)25-19-8-6-7-18(17-19)21-11-12-23(27-26-21)29-15-13-28(2)14-16-29/h4-12,17H,3,13-16H2,1-2H3,(H,25,30)/p+1