N-[1-(4-chlorophenyl)ethyl]-6-[5-(cyclopropylcarbamoyl)-3-fluoranyl-2-methyl-phenyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[1-(4-chlorophenyl)ethyl]-6-[5-(cyclopropylcarbamoyl)-3-fluoranyl-2-methyl-phenyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: N-[1-(4-chlorophenyl)ethyl]-6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methyl-phenyl]-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-[1-(4-chlorophenyl)ethyl]-6-[5-[(cyclopropylamino)-oxomethyl]-3-fluoro-2-methylphenyl]-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: N-[1-(4-chlorophenyl)ethyl]-6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: N-[1-(4-chlorophenyl)ethyl]-6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methyl-phenyl]-1-oxido-pyridin-1-ium-3-carboxamide Formula: C25H23ClFN3O3 MolecularWeight: 467.919823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1C2=[N+](C=C(C=C2)C(=O)NC(C)C3=CC=C(C=C3)Cl)[O-])C(=O)NC4CC4)F

Isomeric SMILES

CC1=C(C=C(C=C1C2=[N+](C=C(C=C2)C(=O)NC(C)C3=CC=C(C=C3)Cl)[O-])C(=O)NC4CC4)F

InChI

InChI=1S/C25H23ClFN3O3/c1-14-21(11-18(12-22(14)27)25(32)29-20-8-9-20)23-10-5-17(13-30(23)33)24(31)28-15(2)16-3-6-19(26)7-4-16/h3-7,10-13,15,20H,8-9H2,1-2H3,(H,28,31)(H,29,32)