1-(2,1,3-benzothiadiazol-5-ylmethyl)-N-[3-(3-fluorophenyl)phenyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-(2,1,3-benzothiadiazol-5-ylmethyl)-N-[3-(3-fluorophenyl)phenyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-(2,1,3-benzothiadiazol-5-ylmethyl)-N-[3-(3-fluorophenyl)phenyl]piperidin-1-ium-4-carboxamide CAS Name: 1-(2,1,3-benzothiadiazol-5-ylmethyl)-N-[3-(3-fluorophenyl)phenyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-(2,1,3-benzothiadiazol-5-ylmethyl)-N-[3-(3-fluorophenyl)phenyl]piperidin-1-ium-4-carboxamide Traditional Name: N-[3-(3-fluorophenyl)phenyl]-1-(piazthiol-5-ylmethyl)piperidin-1-ium-4-carboxamide Formula: C25H24FN4OS+ MolecularWeight: 447.547663

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=CC(=C2)C3=CC(=CC=C3)F)CC4=CC5=NSN=C5C=C4

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=CC(=C2)C3=CC(=CC=C3)F)CC4=CC5=NSN=C5C=C4

InChI

InChI=1S/C25H23FN4OS/c26-21-5-1-3-19(14-21)20-4-2-6-22(15-20)27-25(31)18-9-11-30(12-10-18)16-17-7-8-23-24(13-17)29-32-28-23/h1-8,13-15,18H,9-12,16H2,(H,27,31)/p+1