2-(3-oxidanylpropylamino)-6-phenyl-4-(trifluoromethyl)pyridin-1-ium-3-carboxamide

Systemtic Name: 2-(3-oxidanylpropylamino)-6-phenyl-4-(trifluoromethyl)pyridin-1-ium-3-carboxamide Openeye Name: 2-(3-hydroxypropylamino)-6-phenyl-4-(trifluoromethyl)pyridin-1-ium-3-carboxamide CAS Name: 2-(3-hydroxypropylamino)-6-phenyl-4-(trifluoromethyl)-3-pyridin-1-iumcarboxamide IUPAC Name: 2-(3-hydroxypropylamino)-6-phenyl-4-(trifluoromethyl)pyridin-1-ium-3-carboxamide Traditional Name: 2-(3-hydroxypropylamino)-6-phenyl-4-(trifluoromethyl)pyridin-1-ium-3-carboxamide Formula: C16H17F3N3O2+ MolecularWeight: 340.32029

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=[NH+]C(=C(C(=C2)C(F)(F)F)C(=O)N)NCCCO

Isomeric SMILES

C1=CC=C(C=C1)C2=[NH+]C(=C(C(=C2)C(F)(F)F)C(=O)N)NCCCO

InChI

InChI=1S/C16H16F3N3O2/c17-16(18,19)11-9-12(10-5-2-1-3-6-10)22-15(13(11)14(20)24)21-7-4-8-23/h1-3,5-6,9,23H,4,7-8H2,(H2,20,24)(H,21,22)/p+1