methyl 3-piperidin-1-ium-4-yloxybenzoate

Systemtic Name: methyl 3-piperidin-1-ium-4-yloxybenzoate Openeye Name: methyl 3-piperidin-1-ium-4-yloxybenzoate CAS Name: 3-(4-piperidin-1-iumyloxy)benzoic acid methyl ester IUPAC Name: methyl 3-piperidin-1-ium-4-yloxybenzoate Traditional Name: 3-piperidin-1-ium-4-yloxybenzoic acid methyl ester Formula: C13H18NO3+ MolecularWeight: 236.28692

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)OC2CC[NH2+]CC2

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)OC2CC[NH2+]CC2

InChI

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