N-(1H-benzimidazol-2-ylmethyl)-2-[(2R)-1-[(2-fluorophenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-methyl-ethanamide

Systemtic Name: N-(1H-benzimidazol-2-ylmethyl)-2-[(2R)-1-[(2-fluorophenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-methyl-ethanamide Openeye Name: N-(1H-benzimidazol-2-ylmethyl)-2-[(2R)-1-[(2-fluorophenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-methyl-acetamide CAS Name: N-(1H-benzimidazol-2-ylmethyl)-2-[(2R)-1-[(2-fluorophenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-methylacetamide IUPAC Name: N-(1H-benzimidazol-2-ylmethyl)-2-[(2R)-1-[(2-fluorophenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-methylacetamide Traditional Name: N-(1H-benzimidazol-2-ylmethyl)-2-[(2R)-1-(2-fluorobenzyl)-3-keto-piperazin-1-ium-2-yl]-N-methyl-acetamide Formula: C22H25FN5O2+ MolecularWeight: 410.464603

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2N1)C(=O)CC3C(=O)NCC[NH+]3CC4=CC=CC=C4F

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2N1)C(=O)C[C@@H]3C(=O)NCC[NH+]3CC4=CC=CC=C4F

InChI

InChI=1S/C22H24FN5O2/c1-27(14-20-25-17-8-4-5-9-18(17)26-20)21(29)12-19-22(30)24-10-11-28(19)13-15-6-2-3-7-16(15)23/h2-9,19H,10-14H2,1H3,(H,24,30)(H,25,26)/p+1/t19-/m1/s1