(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]carbonylcyclohexane-1-carboxylate

Systemtic Name: (1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]carbonylcyclohexane-1-carboxylate Openeye Name: (1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-carbonyl]cyclohexanecarboxylate CAS Name: (1R,2R)-2-[[4-[(4-chlorophenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-carbonyl]cyclohexane-1-carboxylate Traditional Name: (1R,2R)-2-[4-(4-chlorobenzyl)piperazin-4-ium-1-carbonyl]cyclohexanecarboxylate Formula: C19H25ClN2O3 MolecularWeight: 364.8664

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)Cl)C(=O)[O-]

Isomeric SMILES

C1CC[C@H]([C@@H](C1)C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)Cl)C(=O)[O-]

InChI

InChI=1S/C19H25ClN2O3/c20-15-7-5-14(6-8-15)13-21-9-11-22(12-10-21)18(23)16-3-1-2-4-17(16)19(24)25/h5-8,16-17H,1-4,9-13H2,(H,24,25)/t16-,17-/m1/s1