N-[1-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]piperidin-1-ium-4-yl]-4-(trifluoromethyl)benzamide

Systemtic Name: N-[1-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]piperidin-1-ium-4-yl]-4-(trifluoromethyl)benzamide Openeye Name: N-[1-[2-(isopropylamino)-2-oxo-ethyl]piperidin-1-ium-4-yl]-4-(trifluoromethyl)benzamide CAS Name: N-[1-[2-oxo-2-(propan-2-ylamino)ethyl]-4-piperidin-1-iumyl]-4-(trifluoromethyl)benzamide IUPAC Name: N-[1-[2-oxo-2-(propan-2-ylamino)ethyl]piperidin-1-ium-4-yl]-4-(trifluoromethyl)benzamide Traditional Name: N-[1-[2-(isopropylamino)-2-keto-ethyl]piperidin-1-ium-4-yl]-4-(trifluoromethyl)benzamide Formula: C18H25F3N3O2+ MolecularWeight: 372.40521

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C[NH+]1CCC(CC1)NC(=O)C2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CC(C)NC(=O)C[NH+]1CCC(CC1)NC(=O)C2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C18H24F3N3O2/c1-12(2)22-16(25)11-24-9-7-15(8-10-24)23-17(26)13-3-5-14(6-4-13)18(19,20)21/h3-6,12,15H,7-11H2,1-2H3,(H,22,25)(H,23,26)/p+1