methyl 5-(morpholin-4-ium-4-ylmethyl)-2-oxidanyl-benzoate chloride

Systemtic Name: methyl 5-(morpholin-4-ium-4-ylmethyl)-2-oxidanyl-benzoate chloride Openeye Name: methyl 2-hydroxy-5-(morpholin-4-ium-4-ylmethyl)benzoate chloride CAS Name: 2-hydroxy-5-(4-morpholin-4-iumylmethyl)benzoic acid methyl ester chloride IUPAC Name: methyl 2-hydroxy-5-(morpholin-4-ium-4-ylmethyl)benzoate chloride Traditional Name: 2-hydroxy-5-(morpholin-4-ium-4-ylmethyl)benzoic acid methyl ester chloride Formula: C13H18ClNO4 MolecularWeight: 287.73932

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)C[NH+]2CCOCC2)O.[Cl-]

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)C[NH+]2CCOCC2)O.[Cl-]

InChI

InChI=1S/C13H17NO4.ClH/c1-17-13(16)11-8-10(2-3-12(11)15)9-14-4-6-18-7-5-14;/h2-3,8,15H,4-7,9H2,1H3;1H