N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-2-(trifluoromethyl)-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-2-(trifluoromethyl)-1,3-benzothiazole-6-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(trifluoromethyl)-1,3-benzothiazole-6-carboxamide CAS Name: N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-2-(trifluoromethyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(trifluoromethyl)-1,3-benzothiazole-6-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(trifluoromethyl)-1,3-benzothiazole-6-carboxamide Formula: C21H21F3N3OS+ MolecularWeight: 420.47115

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2=CC3=C(C=C2)N=C(S3)C(F)(F)F)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2=CC3=C(C=C2)N=C(S3)C(F)(F)F)CC4=CC=CC=C4

InChI

InChI=1S/C21H20F3N3OS/c22-21(23,24)20-26-17-7-6-15(12-18(17)29-20)19(28)25-16-8-10-27(11-9-16)13-14-4-2-1-3-5-14/h1-7,12,16H,8-11,13H2,(H,25,28)/p+1