methyl 3-[[(3S)-piperidin-1-ium-3-yl]methoxy]benzoate

Systemtic Name: methyl 3-[[(3S)-piperidin-1-ium-3-yl]methoxy]benzoate Openeye Name: methyl 3-[[(3S)-piperidin-1-ium-3-yl]methoxy]benzoate CAS Name: 3-[[(3S)-3-piperidin-1-iumyl]methoxy]benzoic acid methyl ester IUPAC Name: methyl 3-[[(3S)-piperidin-1-ium-3-yl]methoxy]benzoate Traditional Name: 3-[[(3S)-piperidin-1-ium-3-yl]methoxy]benzoic acid methyl ester Formula: C14H20NO3+ MolecularWeight: 250.3135

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)OCC2CCC[NH2+]C2

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)OC[C@H]2CCC[NH2+]C2

InChI

InChI=1S/C14H19NO3/c1-17-14(16)12-5-2-6-13(8-12)18-10-11-4-3-7-15-9-11/h2,5-6,8,11,15H,3-4,7,9-10H2,1H3/p+1/t11-/m0/s1