3-(2-chloranyl-6-fluoranyl-phenyl)-5-methyl-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]-1,2-oxazole-4-carboxamide

Systemtic Name: 3-(2-chloranyl-6-fluoranyl-phenyl)-5-methyl-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]-1,2-oxazole-4-carboxamide Openeye Name: 3-(2-chloro-6-fluoro-phenyl)-5-methyl-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]isoxazole-4-carboxamide CAS Name: 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[[2-(1-pyrrolidinyl)-4-pyridin-1-iumyl]methyl]-4-isoxazolecarboxamide IUPAC Name: 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]-1,2-oxazole-4-carboxamide Traditional Name: 3-(2-chloro-6-fluoro-phenyl)-5-methyl-N-[(2-pyrrolidinopyridin-1-ium-4-yl)methyl]isoxazole-4-carboxamide Formula: C21H21ClFN4O2+ MolecularWeight: 415.868443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NCC3=CC(=[NH+]C=C3)N4CCCC4

Isomeric SMILES

CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NCC3=CC(=[NH+]C=C3)N4CCCC4

InChI

InChI=1S/C21H20ClFN4O2/c1-13-18(20(26-29-13)19-15(22)5-4-6-16(19)23)21(28)25-12-14-7-8-24-17(11-14)27-9-2-3-10-27/h4-8,11H,2-3,9-10,12H2,1H3,(H,25,28)/p+1