1-[2-[[2-[(4-fluorophenyl)carbamoyl]phenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[[2-[(4-fluorophenyl)carbamoyl]phenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[2-[(4-fluorophenyl)carbamoyl]anilino]-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[2-[(4-fluoroanilino)-oxomethyl]anilino]-2-oxoethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[2-[(4-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-[2-[(4-fluorophenyl)carbamoyl]anilino]-2-keto-ethyl]piperidin-1-ium-4-carboxamide Formula: C21H24FN4O3+ MolecularWeight: 399.438663

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N)CC(=O)NC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

C1C[NH+](CCC1C(=O)N)CC(=O)NC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C21H23FN4O3/c22-15-5-7-16(8-6-15)24-21(29)17-3-1-2-4-18(17)25-19(27)13-26-11-9-14(10-12-26)20(23)28/h1-8,14H,9-13H2,(H2,23,28)(H,24,29)(H,25,27)/p+1