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

Systemtic Name: [4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(1-oxidanidylpyridin-1-ium-3-yl)methanone Openeye Name: [4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(1-oxidopyridin-1-ium-3-yl)methanone CAS Name: [4-[(3-chlorophenyl)methyl]-1-piperazinyl]-(1-oxido-3-pyridin-1-iumyl)methanone IUPAC Name: [4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(1-oxidopyridin-1-ium-3-yl)methanone Traditional Name: [4-(3-chlorobenzyl)piperazino]-(1-oxidopyridin-1-ium-3-yl)methanone Formula: C17H18ClN3O2 MolecularWeight: 331.79672

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=CC=C2)Cl)C(=O)C3=C[N+](=CC=C3)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC(=CC=C2)Cl)C(=O)C3=C[N+](=CC=C3)[O-]

InChI

InChI=1S/C17H18ClN3O2/c18-16-5-1-3-14(11-16)12-19-7-9-20(10-8-19)17(22)15-4-2-6-21(23)13-15/h1-6,11,13H,7-10,12H2