4-fluoranyl-N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]-1-benzothiophene-2-carboxamide

Systemtic Name: 4-fluoranyl-N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]-1-benzothiophene-2-carboxamide Openeye Name: N-[1-(2-anilino-2-oxo-ethyl)piperidin-1-ium-4-yl]-4-fluoro-benzothiophene-2-carboxamide CAS Name: N-[1-(2-anilino-2-oxoethyl)-4-piperidin-1-iumyl]-4-fluoro-1-benzothiophene-2-carboxamide IUPAC Name: N-[1-(2-anilino-2-oxoethyl)piperidin-1-ium-4-yl]-4-fluoro-1-benzothiophene-2-carboxamide Traditional Name: N-[1-(2-anilino-2-keto-ethyl)piperidin-1-ium-4-yl]-4-fluoro-benzothiophene-2-carboxamide Formula: C22H23FN3O2S+ MolecularWeight: 412.500323

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2=CC3=C(C=CC=C3S2)F)CC(=O)NC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2=CC3=C(C=CC=C3S2)F)CC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C22H22FN3O2S/c23-18-7-4-8-19-17(18)13-20(29-19)22(28)25-16-9-11-26(12-10-16)14-21(27)24-15-5-2-1-3-6-15/h1-8,13,16H,9-12,14H2,(H,24,27)(H,25,28)/p+1