1-(4-methoxyphenyl)-2-(4-pyridin-4-ylcarbonylpiperazin-1-ium-1-yl)ethanone

Systemtic Name: 1-(4-methoxyphenyl)-2-(4-pyridin-4-ylcarbonylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-(4-methoxyphenyl)-2-[4-(pyridine-4-carbonyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-(4-methoxyphenyl)-2-[4-[oxo(pyridin-4-yl)methyl]-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(4-methoxyphenyl)-2-[4-(pyridine-4-carbonyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 2-(4-isonicotinoylpiperazin-1-ium-1-yl)-1-(4-methoxyphenyl)ethanone Formula: C19H22N3O3+ MolecularWeight: 340.39628

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=NC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=NC=C3

InChI

InChI=1S/C19H21N3O3/c1-25-17-4-2-15(3-5-17)18(23)14-21-10-12-22(13-11-21)19(24)16-6-8-20-9-7-16/h2-9H,10-14H2,1H3/p+1