4-tert-butyl-N-[1-[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]benzamide

Systemtic Name: 4-tert-butyl-N-[1-[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]benzamide Openeye Name: 4-tert-butyl-N-[1-[2-(3-fluoroanilino)-2-oxo-ethyl]piperidin-1-ium-4-yl]benzamide CAS Name: 4-tert-butyl-N-[1-[2-(3-fluoroanilino)-2-oxoethyl]-4-piperidin-1-iumyl]benzamide IUPAC Name: 4-tert-butyl-N-[1-[2-(3-fluoroanilino)-2-oxoethyl]piperidin-1-ium-4-yl]benzamide Traditional Name: 4-tert-butyl-N-[1-[2-(3-fluoroanilino)-2-keto-ethyl]piperidin-1-ium-4-yl]benzamide Formula: C24H31FN3O2+ MolecularWeight: 412.520243

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)F

InChI

InChI=1S/C24H30FN3O2/c1-24(2,3)18-9-7-17(8-10-18)23(30)27-20-11-13-28(14-12-20)16-22(29)26-21-6-4-5-19(25)15-21/h4-10,15,20H,11-14,16H2,1-3H3,(H,26,29)(H,27,30)/p+1