4-[4-[(1R)-1-(4-cyclohexylphenyl)ethyl]piperazin-4-ium-1-yl]carbonylbenzoate

Systemtic Name: 4-[4-[(1R)-1-(4-cyclohexylphenyl)ethyl]piperazin-4-ium-1-yl]carbonylbenzoate Openeye Name: 4-[4-[(1R)-1-(4-cyclohexylphenyl)ethyl]piperazin-4-ium-1-carbonyl]benzoate CAS Name: 4-[[4-[(1R)-1-(4-cyclohexylphenyl)ethyl]-1-piperazin-4-iumyl]-oxomethyl]benzoate IUPAC Name: 4-[4-[(1R)-1-(4-cyclohexylphenyl)ethyl]piperazin-4-ium-1-carbonyl]benzoate Traditional Name: 4-[4-[(1R)-1-(4-cyclohexylphenyl)ethyl]piperazin-4-ium-1-carbonyl]benzoate Formula: C26H32N2O3 MolecularWeight: 420.54388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C2CCCCC2)[NH+]3CCN(CC3)C(=O)C4=CC=C(C=C4)C(=O)[O-]

Isomeric SMILES

C[C@H](C1=CC=C(C=C1)C2CCCCC2)[NH+]3CCN(CC3)C(=O)C4=CC=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C26H32N2O3/c1-19(20-7-9-22(10-8-20)21-5-3-2-4-6-21)27-15-17-28(18-16-27)25(29)23-11-13-24(14-12-23)26(30)31/h7-14,19,21H,2-6,15-18H2,1H3,(H,30,31)/t19-/m1/s1