N-[2-chloranyl-4-(trifluoromethyl)phenyl]-4-morpholin-4-yl-pyridin-1-ium-2-carboxamide

Systemtic Name: N-[2-chloranyl-4-(trifluoromethyl)phenyl]-4-morpholin-4-yl-pyridin-1-ium-2-carboxamide Openeye Name: N-[2-chloro-4-(trifluoromethyl)phenyl]-4-morpholino-pyridin-1-ium-2-carboxamide CAS Name: N-[2-chloro-4-(trifluoromethyl)phenyl]-4-(4-morpholinyl)-2-pyridin-1-iumcarboxamide IUPAC Name: N-[2-chloro-4-(trifluoromethyl)phenyl]-4-morpholin-4-ylpyridin-1-ium-2-carboxamide Traditional Name: N-[2-chloro-4-(trifluoromethyl)phenyl]-4-morpholino-pyridin-1-ium-2-carboxamide Formula: C17H16ClF3N3O2+ MolecularWeight: 386.77605

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC(=[NH+]C=C2)C(=O)NC3=C(C=C(C=C3)C(F)(F)F)Cl

Isomeric SMILES

C1COCCN1C2=CC(=[NH+]C=C2)C(=O)NC3=C(C=C(C=C3)C(F)(F)F)Cl

InChI

InChI=1S/C17H15ClF3N3O2/c18-13-9-11(17(19,20)21)1-2-14(13)23-16(25)15-10-12(3-4-22-15)24-5-7-26-8-6-24/h1-4,9-10H,5-8H2,(H,23,25)/p+1