1-(2-diethylaminoethyl)-3-[2-(4-fluoranylphenoxy)ethyl]benzimidazol-1-ium-2-amine

Systemtic Name: 1-(2-diethylaminoethyl)-3-[2-(4-fluoranylphenoxy)ethyl]benzimidazol-1-ium-2-amine Openeye Name: 1-(2-diethylaminoethyl)-3-[2-(4-fluorophenoxy)ethyl]benzimidazol-1-ium-2-amine CAS Name: 1-(2-diethylaminoethyl)-3-[2-(4-fluorophenoxy)ethyl]-2-benzimidazol-1-iumamine IUPAC Name: 1-(2-diethylaminoethyl)-3-[2-(4-fluorophenoxy)ethyl]benzimidazol-1-ium-2-amine Traditional Name: 2-[2-amino-3-[2-(4-fluorophenoxy)ethyl]benzimidazol-1-ium-1-yl]ethyl-diethyl-amine Formula: C21H28FN4O+ MolecularWeight: 371.471623

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC[N+]1=C(N(C2=CC=CC=C21)CCOC3=CC=C(C=C3)F)N

Isomeric SMILES

CCN(CC)CC[N+]1=C(N(C2=CC=CC=C21)CCOC3=CC=C(C=C3)F)N

InChI

InChI=1S/C21H27FN4O/c1-3-24(4-2)13-14-25-19-7-5-6-8-20(19)26(21(25)23)15-16-27-18-11-9-17(22)10-12-18/h5-12,23H,3-4,13-16H2,1-2H3/p+1