1-[4-[4-(1-oxidanidylpyridin-1-ium-3-yl)carbonylpiperazin-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-(1-oxidanidylpyridin-1-ium-3-yl)carbonylpiperazin-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-(1-oxidopyridin-1-ium-3-carbonyl)piperazin-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[(1-oxido-3-pyridin-1-iumyl)-oxomethyl]-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[4-[4-(1-oxidopyridin-1-ium-3-carbonyl)piperazin-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-(1-oxidopyridin-1-ium-3-carbonyl)piperazino]phenyl]ethanone Formula: C18H19N3O3 MolecularWeight: 325.36176

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=C[N+](=CC=C3)[O-]

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=C[N+](=CC=C3)[O-]

InChI

InChI=1S/C18H19N3O3/c1-14(22)15-4-6-17(7-5-15)19-9-11-20(12-10-19)18(23)16-3-2-8-21(24)13-16/h2-8,13H,9-12H2,1H3