[4-(2-chlorophenyl)piperazin-1-yl]-(1-oxidanidylpyridin-1-ium-3-yl)methanone

Systemtic Name: [4-(2-chlorophenyl)piperazin-1-yl]-(1-oxidanidylpyridin-1-ium-3-yl)methanone Openeye Name: [4-(2-chlorophenyl)piperazin-1-yl]-(1-oxidopyridin-1-ium-3-yl)methanone CAS Name: [4-(2-chlorophenyl)-1-piperazinyl]-(1-oxido-3-pyridin-1-iumyl)methanone IUPAC Name: [4-(2-chlorophenyl)piperazin-1-yl]-(1-oxidopyridin-1-ium-3-yl)methanone Traditional Name: [4-(2-chlorophenyl)piperazino]-(1-oxidopyridin-1-ium-3-yl)methanone Formula: C16H16ClN3O2 MolecularWeight: 317.77014

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2Cl)C(=O)C3=C[N+](=CC=C3)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2Cl)C(=O)C3=C[N+](=CC=C3)[O-]

InChI

InChI=1S/C16H16ClN3O2/c17-14-5-1-2-6-15(14)18-8-10-19(11-9-18)16(21)13-4-3-7-20(22)12-13/h1-7,12H,8-11H2