1-(4-methoxyphenyl)-2-(4-pyridin-3-ylcarbonylpiperazin-1-ium-1-yl)ethanone

Systemtic Name: 1-(4-methoxyphenyl)-2-(4-pyridin-3-ylcarbonylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-(4-methoxyphenyl)-2-[4-(pyridine-3-carbonyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-(4-methoxyphenyl)-2-[4-[oxo(3-pyridinyl)methyl]-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(4-methoxyphenyl)-2-[4-(pyridine-3-carbonyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-(4-methoxyphenyl)-2-(4-nicotinoylpiperazin-1-ium-1-yl)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=CN=CC=C3

Isomeric SMILES

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

InChI

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