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

Systemtic Name: [4-(1-oxidanidylpyridin-1-ium-3-yl)carbonylpiperazin-1-yl]-phenyl-methanone Openeye Name: [4-(1-oxidopyridin-1-ium-3-carbonyl)piperazin-1-yl]-phenyl-methanone CAS Name: [4-[(1-oxido-3-pyridin-1-iumyl)-oxomethyl]-1-piperazinyl]-phenylmethanone IUPAC Name: [4-(1-oxidopyridin-1-ium-3-carbonyl)piperazin-1-yl]-phenylmethanone Traditional Name: [4-(1-oxidopyridin-1-ium-3-carbonyl)piperazino]-phenyl-methanone Formula: C17H17N3O3 MolecularWeight: 311.33518

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C3=C[N+](=CC=C3)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C3=C[N+](=CC=C3)[O-]

InChI

InChI=1S/C17H17N3O3/c21-16(14-5-2-1-3-6-14)18-9-11-19(12-10-18)17(22)15-7-4-8-20(23)13-15/h1-8,13H,9-12H2