methyl 3-(piperidin-1-ium-1-ylmethyl)benzoate

Systemtic Name: methyl 3-(piperidin-1-ium-1-ylmethyl)benzoate Openeye Name: methyl 3-(piperidin-1-ium-1-ylmethyl)benzoate CAS Name: 3-(1-piperidin-1-iumylmethyl)benzoic acid methyl ester IUPAC Name: methyl 3-(piperidin-1-ium-1-ylmethyl)benzoate Traditional Name: 3-(piperidin-1-ium-1-ylmethyl)benzoic acid methyl ester Formula: C14H20NO2+ MolecularWeight: 234.3141

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO2/c1-17-14(16)13-7-5-6-12(10-13)11-15-8-3-2-4-9-15/h5-7,10H,2-4,8-9,11H2,1H3/p+1