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

Systemtic Name: [4-(3-chlorophenyl)piperazin-1-yl]-(1-oxidanidylpyridin-1-ium-3-yl)methanone Openeye Name: [4-(3-chlorophenyl)piperazin-1-yl]-(1-oxidopyridin-1-ium-3-yl)methanone CAS Name: [4-(3-chlorophenyl)-1-piperazinyl]-(1-oxido-3-pyridin-1-iumyl)methanone IUPAC Name: [4-(3-chlorophenyl)piperazin-1-yl]-(1-oxidopyridin-1-ium-3-yl)methanone Traditional Name: [4-(3-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=C2)Cl)C(=O)C3=C[N+](=CC=C3)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)C3=C[N+](=CC=C3)[O-]

InChI

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