N-[2-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethyl]-1-methyl-benzimidazol-5-yl]propanamide

Systemtic Name: N-[2-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethyl]-1-methyl-benzimidazol-5-yl]propanamide Openeye Name: N-[2-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethyl]-1-methyl-benzimidazol-5-yl]propanamide CAS Name: N-[2-[2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]ethyl]-1-methyl-5-benzimidazolyl]propanamide IUPAC Name: N-[2-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethyl]-1-methylbenzimidazol-5-yl]propanamide Traditional Name: N-[2-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethyl]-1-methyl-benzimidazol-5-yl]propionamide Formula: C23H29FN5O+ MolecularWeight: 410.507663

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC2=C(C=C1)N(C(=N2)CC[NH+]3CCN(CC3)C4=CC=C(C=C4)F)C

Isomeric SMILES

CCC(=O)NC1=CC2=C(C=C1)N(C(=N2)CC[NH+]3CCN(CC3)C4=CC=C(C=C4)F)C

InChI

InChI=1S/C23H28FN5O/c1-3-23(30)25-18-6-9-21-20(16-18)26-22(27(21)2)10-11-28-12-14-29(15-13-28)19-7-4-17(24)5-8-19/h4-9,16H,3,10-15H2,1-2H3,(H,25,30)/p+1