1-[3-[(4-bromanyl-2-fluoranyl-phenyl)amino]-3-oxidanylidene-propyl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[3-[(4-bromanyl-2-fluoranyl-phenyl)amino]-3-oxidanylidene-propyl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-benzyl-1-[3-(4-bromo-2-fluoro-anilino)-3-oxo-propyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[3-(4-bromo-2-fluoroanilino)-3-oxopropyl]-N-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-benzyl-1-[3-(4-bromo-2-fluoroanilino)-3-oxopropyl]piperidin-1-ium-4-carboxamide Traditional Name: N-benzyl-1-[3-(4-bromo-2-fluoro-anilino)-3-keto-propyl]piperidin-1-ium-4-carboxamide Formula: C22H26BrFN3O2+ MolecularWeight: 463.363143

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NCC2=CC=CC=C2)CCC(=O)NC3=C(C=C(C=C3)Br)F

Isomeric SMILES

C1C[NH+](CCC1C(=O)NCC2=CC=CC=C2)CCC(=O)NC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C22H25BrFN3O2/c23-18-6-7-20(19(24)14-18)26-21(28)10-13-27-11-8-17(9-12-27)22(29)25-15-16-4-2-1-3-5-16/h1-7,14,17H,8-13,15H2,(H,25,29)(H,26,28)/p+1