3-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-5,6-dimethyl-pyridazine-4-carbonitrile

Systemtic Name: 3-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-5,6-dimethyl-pyridazine-4-carbonitrile Openeye Name: 3-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-5,6-dimethyl-pyridazine-4-carbonitrile CAS Name: 3-[4-[(2,5-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-5,6-dimethyl-4-pyridazinecarbonitrile IUPAC Name: 3-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-5,6-dimethylpyridazine-4-carbonitrile Traditional Name: 3-[4-(2,5-dimethoxybenzyl)piperazin-4-ium-1-yl]-5,6-dimethyl-pyridazine-4-carbonitrile Formula: C20H26N5O2+ MolecularWeight: 368.45274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN=C1C)N2CC[NH+](CC2)CC3=C(C=CC(=C3)OC)OC)C#N

Isomeric SMILES

CC1=C(C(=NN=C1C)N2CC[NH+](CC2)CC3=C(C=CC(=C3)OC)OC)C#N

InChI

InChI=1S/C20H25N5O2/c1-14-15(2)22-23-20(18(14)12-21)25-9-7-24(8-10-25)13-16-11-17(26-3)5-6-19(16)27-4/h5-6,11H,7-10,13H2,1-4H3/p+1