methyl 4-[(2S)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]benzoate

Systemtic Name: methyl 4-[(2S)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]benzoate Openeye Name: methyl 4-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]benzoate CAS Name: 4-[(2S)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[(2S)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]benzoate Traditional Name: 4-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]benzoic acid methyl ester Formula: C16H24NO4+ MolecularWeight: 294.36606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO4/c1-20-16(19)13-5-7-15(8-6-13)21-12-14(18)11-17-9-3-2-4-10-17/h5-8,14,18H,2-4,9-12H2,1H3/p+1/t14-/m0/s1