[(2S)-1-(4-tert-butylphenoxy)-3-piperidin-1-ium-1-yl-propan-2-yl] 4-methoxybenzoate

Systemtic Name: [(2S)-1-(4-tert-butylphenoxy)-3-piperidin-1-ium-1-yl-propan-2-yl] 4-methoxybenzoate Openeye Name: [(1S)-1-[(4-tert-butylphenoxy)methyl]-2-piperidin-1-ium-1-yl-ethyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [(2S)-1-(4-tert-butylphenoxy)-3-(1-piperidin-1-iumyl)propan-2-yl] ester IUPAC Name: [(2S)-1-(4-tert-butylphenoxy)-3-piperidin-1-ium-1-ylpropan-2-yl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [(1S)-1-[(4-tert-butylphenoxy)methyl]-2-piperidin-1-ium-1-yl-ethyl] ester Formula: C26H36NO4+ MolecularWeight: 426.56834

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC(C[NH+]2CCCCC2)OC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC[C@H](C[NH+]2CCCCC2)OC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C26H35NO4/c1-26(2,3)21-10-14-23(15-11-21)30-19-24(18-27-16-6-5-7-17-27)31-25(28)20-8-12-22(29-4)13-9-20/h8-15,24H,5-7,16-19H2,1-4H3/p+1/t24-/m0/s1