3-fluoranyl-4-methyl-N-[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]benzamide

Systemtic Name: 3-fluoranyl-4-methyl-N-[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]benzamide Openeye Name: 3-fluoro-4-methyl-N-[4-(piperidin-1-ium-1-ylmethyl)thiazol-2-yl]benzamide CAS Name: 3-fluoro-4-methyl-N-[4-(1-piperidin-1-iumylmethyl)-2-thiazolyl]benzamide IUPAC Name: 3-fluoro-4-methyl-N-[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]benzamide Traditional Name: 3-fluoro-4-methyl-N-[4-(piperidin-1-ium-1-ylmethyl)thiazol-2-yl]benzamide Formula: C17H21FN3OS+ MolecularWeight: 334.431543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=NC(=CS2)C[NH+]3CCCCC3)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=NC(=CS2)C[NH+]3CCCCC3)F

InChI

InChI=1S/C17H20FN3OS/c1-12-5-6-13(9-15(12)18)16(22)20-17-19-14(11-23-17)10-21-7-3-2-4-8-21/h5-6,9,11H,2-4,7-8,10H2,1H3,(H,19,20,22)/p+1