methyl 4-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]benzoate

Systemtic Name: methyl 4-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]benzoate Openeye Name: methyl 4-[(4-hydroxypiperidin-1-ium-1-yl)methyl]benzoate CAS Name: 4-[(4-hydroxy-1-piperidin-1-iumyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-hydroxypiperidin-1-ium-1-yl)methyl]benzoate Traditional Name: 4-[(4-hydroxypiperidin-1-ium-1-yl)methyl]benzoic acid methyl ester Formula: C14H20NO3+ MolecularWeight: 250.3135

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C[NH+]2CCC(CC2)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C[NH+]2CCC(CC2)O

InChI

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