N-(3-chloranyl-4-fluoranyl-phenyl)-3-[1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-yl]propanamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-3-[1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-yl]propanamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-3-[1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-yl]propanamide CAS Name: N-(3-chloro-4-fluorophenyl)-3-[1-[[1-(2-pyrimidinyl)-2-pyrrolyl]methyl]-4-piperidin-1-iumyl]propanamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-3-[1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-yl]propanamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-3-[1-[[1-(2-pyrimidyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]propionamide Formula: C23H26ClFN5O+ MolecularWeight: 442.936843

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CCC(=O)NC2=CC(=C(C=C2)F)Cl)CC3=CC=CN3C4=NC=CC=N4

Isomeric SMILES

C1C[NH+](CCC1CCC(=O)NC2=CC(=C(C=C2)F)Cl)CC3=CC=CN3C4=NC=CC=N4

InChI

InChI=1S/C23H25ClFN5O/c24-20-15-18(5-6-21(20)25)28-22(31)7-4-17-8-13-29(14-9-17)16-19-3-1-12-30(19)23-26-10-2-11-27-23/h1-3,5-6,10-12,15,17H,4,7-9,13-14,16H2,(H,28,31)/p+1