methyl 4-[[(2S)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[(2S)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]methyl]benzoate Openeye Name: methyl 4-[[(2S)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]methyl]benzoate CAS Name: 4-[[(2S)-2-(2-hydroxyethyl)-1-piperidin-1-iumyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2S)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]methyl]benzoate Traditional Name: 4-[[(2S)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]methyl]benzoic acid methyl ester Formula: C16H24NO3+ MolecularWeight: 278.36666

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C[NH+]2CCCCC2CCO

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C[NH+]2CCCC[C@H]2CCO

InChI

InChI=1S/C16H23NO3/c1-20-16(19)14-7-5-13(6-8-14)12-17-10-3-2-4-15(17)9-11-18/h5-8,15,18H,2-4,9-12H2,1H3/p+1/t15-/m0/s1