(phenylmethyl) 1-cyclohexyl-4-(4-fluorophenyl)-4-methoxy-piperazine-1,4-diium-1-carboxylate

Systemtic Name: (phenylmethyl) 1-cyclohexyl-4-(4-fluorophenyl)-4-methoxy-piperazine-1,4-diium-1-carboxylate Openeye Name: benzyl 1-cyclohexyl-4-(4-fluorophenyl)-4-methoxy-piperazine-1,4-diium-1-carboxylate CAS Name: 1-cyclohexyl-4-(4-fluorophenyl)-4-methoxy-1-piperazine-1,4-diiumcarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-cyclohexyl-4-(4-fluorophenyl)-4-methoxypiperazine-1,4-diium-1-carboxylate Traditional Name: 1-cyclohexyl-4-(4-fluorophenyl)-4-methoxy-piperazine-1,4-diium-1-carboxylic acid benzyl ester Formula: C25H33FN2O3+2 MolecularWeight: 428.539523

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Descriptors Computed from Structure

Canonical SMILES:

CO[N+]1(CC[N+](CC1)(C2CCCCC2)C(=O)OCC3=CC=CC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

CO[N+]1(CC[N+](CC1)(C2CCCCC2)C(=O)OCC3=CC=CC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H33FN2O3/c1-30-28(24-14-12-22(26)13-15-24)18-16-27(17-19-28,23-10-6-3-7-11-23)25(29)31-20-21-8-4-2-5-9-21/h2,4-5,8-9,12-15,23H,3,6-7,10-11,16-20H2,1H3/q+2