[3-ethyl-6-[(2-fluorophenyl)carbonylamino]-1H-benzimidazol-3-ium-2-yl]-methyl-phosphinic acid

Systemtic Name: [3-ethyl-6-[(2-fluorophenyl)carbonylamino]-1H-benzimidazol-3-ium-2-yl]-methyl-phosphinic acid Openeye Name: [3-ethyl-6-[(2-fluorobenzoyl)amino]-1H-benzimidazol-3-ium-2-yl]-methyl-phosphinic acid CAS Name: [3-ethyl-6-[[(2-fluorophenyl)-oxomethyl]amino]-1H-benzimidazol-3-ium-2-yl]-methylphosphinic acid IUPAC Name: [3-ethyl-6-[(2-fluorobenzoyl)amino]-1H-benzimidazol-3-ium-2-yl]-methylphosphinic acid Traditional Name: [3-ethyl-6-[(2-fluorobenzoyl)amino]-1H-benzimidazol-3-ium-2-yl]-methyl-phosphinic acid Formula: C17H18FN3O3P+ MolecularWeight: 362.315284

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(NC2=C1C=CC(=C2)NC(=O)C3=CC=CC=C3F)P(=O)(C)O

Isomeric SMILES

CC[N+]1=C(NC2=C1C=CC(=C2)NC(=O)C3=CC=CC=C3F)P(=O)(C)O

InChI

InChI=1S/C17H17FN3O3P/c1-3-21-15-9-8-11(10-14(15)20-17(21)25(2,23)24)19-16(22)12-6-4-5-7-13(12)18/h4-10H,3H2,1-2H3,(H2,19,22,23,24)/p+1