3-[4-[(1R)-1-(4-cyclohexylphenyl)ethyl]piperazin-4-ium-1-yl]carbonylbenzoate

Systemtic Name: 3-[4-[(1R)-1-(4-cyclohexylphenyl)ethyl]piperazin-4-ium-1-yl]carbonylbenzoate Openeye Name: 3-[4-[(1R)-1-(4-cyclohexylphenyl)ethyl]piperazin-4-ium-1-carbonyl]benzoate CAS Name: 3-[[4-[(1R)-1-(4-cyclohexylphenyl)ethyl]-1-piperazin-4-iumyl]-oxomethyl]benzoate IUPAC Name: 3-[4-[(1R)-1-(4-cyclohexylphenyl)ethyl]piperazin-4-ium-1-carbonyl]benzoate Traditional Name: 3-[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(=CC=C4)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C26H32N2O3/c1-19(20-10-12-22(13-11-20)21-6-3-2-4-7-21)27-14-16-28(17-15-27)25(29)23-8-5-9-24(18-23)26(30)31/h5,8-13,18-19,21H,2-4,6-7,14-17H2,1H3,(H,30,31)/t19-/m1/s1