[(2R)-2-oxidanyl-3-(4-phenylpiperazin-1-ium-1-yl)propyl] benzoate

Systemtic Name: [(2R)-2-oxidanyl-3-(4-phenylpiperazin-1-ium-1-yl)propyl] benzoate Openeye Name: [(2R)-2-hydroxy-3-(4-phenylpiperazin-1-ium-1-yl)propyl] benzoate CAS Name: benzoic acid [(2R)-2-hydroxy-3-(4-phenyl-1-piperazin-1-iumyl)propyl] ester IUPAC Name: [(2R)-2-hydroxy-3-(4-phenylpiperazin-1-ium-1-yl)propyl] benzoate Traditional Name: benzoic acid [(2R)-2-hydroxy-3-(4-phenylpiperazin-1-ium-1-yl)propyl] ester Formula: C20H25N2O3+ MolecularWeight: 341.4241

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(COC(=O)C2=CC=CC=C2)O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1C[C@H](COC(=O)C2=CC=CC=C2)O)C3=CC=CC=C3

InChI

InChI=1S/C20H24N2O3/c23-19(16-25-20(24)17-7-3-1-4-8-17)15-21-11-13-22(14-12-21)18-9-5-2-6-10-18/h1-10,19,23H,11-16H2/p+1/t19-/m1/s1