methanolate; (phenylmethyl) 1-cyclohexyl-4-(4-fluorophenyl)piperazin-1-ium-1-carboxylate

Systemtic Name: methanolate; (phenylmethyl) 1-cyclohexyl-4-(4-fluorophenyl)piperazin-1-ium-1-carboxylate Openeye Name: benzyl 1-cyclohexyl-4-(4-fluorophenyl)piperazin-1-ium-1-carboxylate; methanolate CAS Name: 1-cyclohexyl-4-(4-fluorophenyl)-1-piperazin-1-iumcarboxylic acid (phenylmethyl) ester; methanolate IUPAC Name: benzyl 1-cyclohexyl-4-(4-fluorophenyl)piperazin-1-ium-1-carboxylate; methanolate Traditional Name: 1-cyclohexyl-4-(4-fluorophenyl)piperazin-1-ium-1-carboxylic acid benzyl ester; methanolate Formula: C25H33FN2O3 MolecularWeight: 428.539523

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Descriptors Computed from Structure

Canonical SMILES:

C[O-].C1CCC(CC1)[N+]2(CCN(CC2)C3=CC=C(C=C3)F)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C[O-].C1CCC(CC1)[N+]2(CCN(CC2)C3=CC=C(C=C3)F)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C24H30FN2O2.CH3O/c25-21-11-13-22(14-12-21)26-15-17-27(18-16-26,23-9-5-2-6-10-23)24(28)29-19-20-7-3-1-4-8-20;1-2/h1,3-4,7-8,11-14,23H,2,5-6,9-10,15-19H2;1H3/q+1;-1