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

Systemtic Name: 2-(4-fluorophenyl)carbonyl-N-[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]benzamide Openeye Name: 2-(4-fluorobenzoyl)-N-[4-(piperidin-1-ium-1-ylmethyl)thiazol-2-yl]benzamide CAS Name: 2-[(4-fluorophenyl)-oxomethyl]-N-[4-(1-piperidin-1-iumylmethyl)-2-thiazolyl]benzamide IUPAC Name: 2-(4-fluorobenzoyl)-N-[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]benzamide Traditional Name: 2-(4-fluorobenzoyl)-N-[4-(piperidin-1-ium-1-ylmethyl)thiazol-2-yl]benzamide Formula: C23H23FN3O2S+ MolecularWeight: 424.511023

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CSC(=N2)NC(=O)C3=CC=CC=C3C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CC[NH+](CC1)CC2=CSC(=N2)NC(=O)C3=CC=CC=C3C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H22FN3O2S/c24-17-10-8-16(9-11-17)21(28)19-6-2-3-7-20(19)22(29)26-23-25-18(15-30-23)14-27-12-4-1-5-13-27/h2-3,6-11,15H,1,4-5,12-14H2,(H,25,26,29)/p+1