4-methoxy-3-(morpholin-4-ium-4-ylmethyl)benzoate

Systemtic Name: 4-methoxy-3-(morpholin-4-ium-4-ylmethyl)benzoate Openeye Name: 4-methoxy-3-(morpholin-4-ium-4-ylmethyl)benzoate CAS Name: 4-methoxy-3-(4-morpholin-4-iumylmethyl)benzoate IUPAC Name: 4-methoxy-3-(morpholin-4-ium-4-ylmethyl)benzoate Traditional Name: 4-methoxy-3-(morpholin-4-ium-4-ylmethyl)benzoate Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)[O-])C[NH+]2CCOCC2

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)[O-])C[NH+]2CCOCC2

InChI

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