(phenylmethyl) 1-[2-fluoranyl-4-(phenylmethoxycarbonylamino)phenyl]piperazin-1-ium-1-carboxylate

Systemtic Name: (phenylmethyl) 1-[2-fluoranyl-4-(phenylmethoxycarbonylamino)phenyl]piperazin-1-ium-1-carboxylate Openeye Name: benzyl 1-[4-(benzyloxycarbonylamino)-2-fluoro-phenyl]piperazin-1-ium-1-carboxylate CAS Name: 1-[2-fluoro-4-(phenylmethoxycarbonylamino)phenyl]-1-piperazin-1-iumcarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-[2-fluoro-4-(phenylmethoxycarbonylamino)phenyl]piperazin-1-ium-1-carboxylate Traditional Name: 1-[4-(benzyloxycarbonylamino)-2-fluoro-phenyl]piperazin-1-ium-1-carboxylic acid benzyl ester Formula: C26H27FN3O4+ MolecularWeight: 464.508683

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCN1)(C2=C(C=C(C=C2)NC(=O)OCC3=CC=CC=C3)F)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1C[N+](CCN1)(C2=C(C=C(C=C2)NC(=O)OCC3=CC=CC=C3)F)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H26FN3O4/c27-23-17-22(29-25(31)33-18-20-7-3-1-4-8-20)11-12-24(23)30(15-13-28-14-16-30)26(32)34-19-21-9-5-2-6-10-21/h1-12,17,28H,13-16,18-19H2/p+1