2-[4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-4-ium-1-yl]pyridine-3-carboxamide

Systemtic Name: 2-[4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-4-ium-1-yl]pyridine-3-carboxamide Openeye Name: 2-[4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-4-ium-1-yl]pyridine-3-carboxamide CAS Name: 2-[4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-4-ium-1-yl]-3-pyridinecarboxamide IUPAC Name: 2-[4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-4-ium-1-yl]pyridine-3-carboxamide Traditional Name: 2-[4-[4-(trifluoromethyl)benzyl]-1,4-diazepan-4-ium-1-yl]nicotinamide Formula: C19H22F3N4O+ MolecularWeight: 379.39939

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C2=C(C=CC=N2)C(=O)N)CC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1C[NH+](CCN(C1)C2=C(C=CC=N2)C(=O)N)CC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C19H21F3N4O/c20-19(21,22)15-6-4-14(5-7-15)13-25-9-2-10-26(12-11-25)18-16(17(23)27)3-1-8-24-18/h1,3-8H,2,9-13H2,(H2,23,27)/p+1