4-chloranyl-N-[2-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]pyridine-2-carboxamide

Systemtic Name: 4-chloranyl-N-[2-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]pyridine-2-carboxamide Openeye Name: 4-chloro-N-[2-[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]pyridine-2-carboxamide CAS Name: 4-chloro-N-[2-[4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]-2-pyridinecarboxamide IUPAC Name: 4-chloro-N-[2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]pyridine-2-carboxamide Traditional Name: 4-chloro-N-[2-[4-(5-fluoro-2-methoxy-benzyl)piperazin-4-ium-1-yl]-2-keto-ethyl]picolinamide Formula: C20H23ClFN4O3+ MolecularWeight: 421.873023

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)C[NH+]2CCN(CC2)C(=O)CNC(=O)C3=NC=CC(=C3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)F)C[NH+]2CCN(CC2)C(=O)CNC(=O)C3=NC=CC(=C3)Cl

InChI

InChI=1S/C20H22ClFN4O3/c1-29-18-3-2-16(22)10-14(18)13-25-6-8-26(9-7-25)19(27)12-24-20(28)17-11-15(21)4-5-23-17/h2-5,10-11H,6-9,12-13H2,1H3,(H,24,28)/p+1