2-fluoranyl-N-[1-[2-oxidanylidene-2-[(1-piperidin-1-ium-1-ylcyclohexyl)methylamino]ethyl]pyrazol-4-yl]benzamide

Systemtic Name: 2-fluoranyl-N-[1-[2-oxidanylidene-2-[(1-piperidin-1-ium-1-ylcyclohexyl)methylamino]ethyl]pyrazol-4-yl]benzamide Openeye Name: 2-fluoro-N-[1-[2-oxo-2-[(1-piperidin-1-ium-1-ylcyclohexyl)methylamino]ethyl]pyrazol-4-yl]benzamide CAS Name: 2-fluoro-N-[1-[2-oxo-2-[[1-(1-piperidin-1-iumyl)cyclohexyl]methylamino]ethyl]-4-pyrazolyl]benzamide IUPAC Name: 2-fluoro-N-[1-[2-oxo-2-[(1-piperidin-1-ium-1-ylcyclohexyl)methylamino]ethyl]pyrazol-4-yl]benzamide Traditional Name: 2-fluoro-N-[1-[2-keto-2-[(1-piperidin-1-ium-1-ylcyclohexyl)methylamino]ethyl]pyrazol-4-yl]benzamide Formula: C24H33FN5O2+ MolecularWeight: 442.549523

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)CN2C=C(C=N2)NC(=O)C3=CC=CC=C3F)[NH+]4CCCCC4

Isomeric SMILES

C1CCC(CC1)(CNC(=O)CN2C=C(C=N2)NC(=O)C3=CC=CC=C3F)[NH+]4CCCCC4

InChI

InChI=1S/C24H32FN5O2/c25-21-10-4-3-9-20(21)23(32)28-19-15-27-30(16-19)17-22(31)26-18-24(11-5-1-6-12-24)29-13-7-2-8-14-29/h3-4,9-10,15-16H,1-2,5-8,11-14,17-18H2,(H,26,31)(H,28,32)/p+1