N-(4-chloranyl-2-fluoranyl-phenyl)-4-pyridin-1-ium-2-yl-piperazine-1-carboxamide

Systemtic Name: N-(4-chloranyl-2-fluoranyl-phenyl)-4-pyridin-1-ium-2-yl-piperazine-1-carboxamide Openeye Name: N-(4-chloro-2-fluoro-phenyl)-4-pyridin-1-ium-2-yl-piperazine-1-carboxamide CAS Name: N-(4-chloro-2-fluorophenyl)-4-(2-pyridin-1-iumyl)-1-piperazinecarboxamide IUPAC Name: N-(4-chloro-2-fluorophenyl)-4-pyridin-1-ium-2-ylpiperazine-1-carboxamide Traditional Name: N-(4-chloro-2-fluoro-phenyl)-4-pyridin-1-ium-2-yl-piperazine-1-carboxamide Formula: C16H17ClFN4O+ MolecularWeight: 335.783783

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)NC3=C(C=C(C=C3)Cl)F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)NC3=C(C=C(C=C3)Cl)F

InChI

InChI=1S/C16H16ClFN4O/c17-12-4-5-14(13(18)11-12)20-16(23)22-9-7-21(8-10-22)15-3-1-2-6-19-15/h1-6,11H,7-10H2,(H,20,23)/p+1