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

Systemtic Name: methyl 3-[(3S)-piperidin-1-ium-3-yl]oxybenzoate Openeye Name: methyl 3-[(3S)-piperidin-1-ium-3-yl]oxybenzoate CAS Name: 3-[[(3S)-3-piperidin-1-iumyl]oxy]benzoic acid methyl ester IUPAC Name: methyl 3-[(3S)-piperidin-1-ium-3-yl]oxybenzoate Traditional Name: 3-[(3S)-piperidin-1-ium-3-yl]oxybenzoic acid methyl ester Formula: C13H18NO3+ MolecularWeight: 236.28692

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)OC2CCC[NH2+]C2

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO3/c1-16-13(15)10-4-2-5-11(8-10)17-12-6-3-7-14-9-12/h2,4-5,8,12,14H,3,6-7,9H2,1H3/p+1/t12-/m0/s1