2-[6-(4-cyclohexylpiperazin-4-ium-1-yl)pyridazin-3-yl]oxy-N-[(2,3-dimethoxyphenyl)methyl]ethanamide

Systemtic Name: 2-[6-(4-cyclohexylpiperazin-4-ium-1-yl)pyridazin-3-yl]oxy-N-[(2,3-dimethoxyphenyl)methyl]ethanamide Openeye Name: 2-[6-(4-cyclohexylpiperazin-4-ium-1-yl)pyridazin-3-yl]oxy-N-[(2,3-dimethoxyphenyl)methyl]acetamide CAS Name: 2-[[6-(4-cyclohexyl-1-piperazin-4-iumyl)-3-pyridazinyl]oxy]-N-[(2,3-dimethoxyphenyl)methyl]acetamide IUPAC Name: 2-[6-(4-cyclohexylpiperazin-4-ium-1-yl)pyridazin-3-yl]oxy-N-[(2,3-dimethoxyphenyl)methyl]acetamide Traditional Name: 2-[6-(4-cyclohexylpiperazin-4-ium-1-yl)pyridazin-3-yl]oxy-N-o-veratryl-acetamide Formula: C25H36N5O4+ MolecularWeight: 470.58444

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CNC(=O)COC2=NN=C(C=C2)N3CC[NH+](CC3)C4CCCCC4

Isomeric SMILES

COC1=CC=CC(=C1OC)CNC(=O)COC2=NN=C(C=C2)N3CC[NH+](CC3)C4CCCCC4

InChI

InChI=1S/C25H35N5O4/c1-32-21-10-6-7-19(25(21)33-2)17-26-23(31)18-34-24-12-11-22(27-28-24)30-15-13-29(14-16-30)20-8-4-3-5-9-20/h6-7,10-12,20H,3-5,8-9,13-18H2,1-2H3,(H,26,31)/p+1