4-methylmorpholin-4-ium benzoate

Systemtic Name: 4-methylmorpholin-4-ium benzoate Openeye Name: 4-methylmorpholin-4-ium benzoate CAS Name: 4-methylmorpholin-4-ium benzoate IUPAC Name: 4-methylmorpholin-4-ium benzoate Traditional Name: 4-methylmorpholin-4-ium benzoate Formula: C12H17NO3 MolecularWeight: 223.26828

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCOCC1.C1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

C[NH+]1CCOCC1.C1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C7H6O2.C5H11NO/c8-7(9)6-4-2-1-3-5-6;1-6-2-4-7-5-3-6/h1-5H,(H,8,9);2-5H2,1H3