5-fluoranyl-3-methyl-N-[(2S)-2-piperidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]-1-benzofuran-2-carboxamide

Systemtic Name: 5-fluoranyl-3-methyl-N-[(2S)-2-piperidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]-1-benzofuran-2-carboxamide Openeye Name: 5-fluoro-3-methyl-N-[(2S)-2-piperidin-1-ium-1-yl-2-(2-thienyl)ethyl]benzofuran-2-carboxamide CAS Name: 5-fluoro-3-methyl-N-[(2S)-2-(1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]-2-benzofurancarboxamide IUPAC Name: 5-fluoro-3-methyl-N-[(2S)-2-piperidin-1-ium-1-yl-2-thiophen-2-ylethyl]-1-benzofuran-2-carboxamide Traditional Name: 5-fluoro-3-methyl-N-[(2S)-2-piperidin-1-ium-1-yl-2-(2-thienyl)ethyl]coumarilamide Formula: C21H24FN2O2S+ MolecularWeight: 387.490863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)F)C(=O)NCC(C3=CC=CS3)[NH+]4CCCCC4

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)F)C(=O)NC[C@@H](C3=CC=CS3)[NH+]4CCCCC4

InChI

InChI=1S/C21H23FN2O2S/c1-14-16-12-15(22)7-8-18(16)26-20(14)21(25)23-13-17(19-6-5-11-27-19)24-9-3-2-4-10-24/h5-8,11-12,17H,2-4,9-10,13H2,1H3,(H,23,25)/p+1/t17-/m0/s1