N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide

Systemtic Name: N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide CAS Name: N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide Formula: C21H22F3N4O+ MolecularWeight: 403.42079

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2=CC3=C(C=C2)N=C(N3)C(F)(F)F)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2=CC3=C(C=C2)N=C(N3)C(F)(F)F)CC4=CC=CC=C4

InChI

InChI=1S/C21H21F3N4O/c22-21(23,24)20-26-17-7-6-15(12-18(17)27-20)19(29)25-16-8-10-28(11-9-16)13-14-4-2-1-3-5-14/h1-7,12,16H,8-11,13H2,(H,25,29)(H,26,27)/p+1