[5-[(3-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [5-[(3-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: [5-[(3-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]-[4-(2-pyridylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [5-[(3-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]-[4-(2-pyridinylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: [5-[(3-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: [5-[(3-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]-[4-(2-pyridylmethyl)piperazin-4-ium-1-yl]methanone Formula: C22H26N5O3+ MolecularWeight: 408.47354

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)OCC2=CC(=NN2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=N4

Isomeric SMILES

COC1=CC(=CC=C1)OCC2=CC(=NN2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=N4

InChI

InChI=1S/C22H25N5O3/c1-29-19-6-4-7-20(14-19)30-16-18-13-21(25-24-18)22(28)27-11-9-26(10-12-27)15-17-5-2-3-8-23-17/h2-8,13-14H,9-12,15-16H2,1H3,(H,24,25)/p+1