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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-[6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridazin-3-yl]oxy-ethanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-[6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridazin-3-yl]oxy-acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-[[6-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-pyridazinyl]oxy]acetamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-[6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridazin-3-yl]oxyacetamide Traditional Name: N-homoveratryl-N-methyl-2-[6-(4-pyridin-1-ium-2-ylpiperazino)pyridazin-3-yl]oxy-acetamide Formula: C26H33N6O4+ MolecularWeight: 493.57802

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)COC2=NN=C(C=C2)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)COC2=NN=C(C=C2)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C26H32N6O4/c1-30(13-11-20-7-8-21(34-2)22(18-20)35-3)26(33)19-36-25-10-9-24(28-29-25)32-16-14-31(15-17-32)23-6-4-5-12-27-23/h4-10,12,18H,11,13-17,19H2,1-3H3/p+1