(2-chloranyl-4-fluoranyl-phenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: (2-chloranyl-4-fluoranyl-phenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: (2-chloro-4-fluoro-phenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: (2-chloro-4-fluorophenyl)-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (2-chloro-4-fluorophenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: (2-chloro-4-fluoro-phenyl)-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C16H16ClFN3O+ MolecularWeight: 320.769143

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=C(C=C(C=C3)F)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C16H15ClFN3O/c17-14-11-12(18)4-5-13(14)16(22)21-9-7-20(8-10-21)15-3-1-2-6-19-15/h1-6,11H,7-10H2/p+1