N-[3-[1-(4-fluorophenyl)carbonylpiperidin-1-ium-1-yl]propyl]-N-methyl-1,2-benzothiazole-3-carboxamide

Systemtic Name: N-[3-[1-(4-fluorophenyl)carbonylpiperidin-1-ium-1-yl]propyl]-N-methyl-1,2-benzothiazole-3-carboxamide Openeye Name: N-[3-[1-(4-fluorobenzoyl)piperidin-1-ium-1-yl]propyl]-N-methyl-1,2-benzothiazole-3-carboxamide CAS Name: N-[3-[1-[(4-fluorophenyl)-oxomethyl]-1-piperidin-1-iumyl]propyl]-N-methyl-1,2-benzothiazole-3-carboxamide IUPAC Name: N-[3-[1-(4-fluorobenzoyl)piperidin-1-ium-1-yl]propyl]-N-methyl-1,2-benzothiazole-3-carboxamide Traditional Name: N-[3-[1-(4-fluorobenzoyl)piperidin-1-ium-1-yl]propyl]-N-methyl-1,2-benzothiazole-3-carboxamide Formula: C24H27FN3O2S+ MolecularWeight: 440.553483

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC[N+]1(CCCCC1)C(=O)C2=CC=C(C=C2)F)C(=O)C3=NSC4=CC=CC=C43

Isomeric SMILES

CN(CCC[N+]1(CCCCC1)C(=O)C2=CC=C(C=C2)F)C(=O)C3=NSC4=CC=CC=C43

InChI

InChI=1S/C24H27FN3O2S/c1-27(23(29)22-20-8-3-4-9-21(20)31-26-22)14-7-17-28(15-5-2-6-16-28)24(30)18-10-12-19(25)13-11-18/h3-4,8-13H,2,5-7,14-17H2,1H3/q+1