N-[1-ethyl-2-(morpholin-4-ium-4-ylmethyl)benzimidazol-5-yl]-4-fluoranyl-benzamide

Systemtic Name: N-[1-ethyl-2-(morpholin-4-ium-4-ylmethyl)benzimidazol-5-yl]-4-fluoranyl-benzamide Openeye Name: N-[1-ethyl-2-(morpholin-4-ium-4-ylmethyl)benzimidazol-5-yl]-4-fluoro-benzamide CAS Name: N-[1-ethyl-2-(4-morpholin-4-iumylmethyl)-5-benzimidazolyl]-4-fluorobenzamide IUPAC Name: N-[1-ethyl-2-(morpholin-4-ium-4-ylmethyl)benzimidazol-5-yl]-4-fluorobenzamide Traditional Name: N-[1-ethyl-2-(morpholin-4-ium-4-ylmethyl)benzimidazol-5-yl]-4-fluoro-benzamide Formula: C21H24FN4O2+ MolecularWeight: 383.439263

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)F)N=C1C[NH+]4CCOCC4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)F)N=C1C[NH+]4CCOCC4

InChI

InChI=1S/C21H23FN4O2/c1-2-26-19-8-7-17(23-21(27)15-3-5-16(22)6-4-15)13-18(19)24-20(26)14-25-9-11-28-12-10-25/h3-8,13H,2,9-12,14H2,1H3,(H,23,27)/p+1