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

Systemtic Name: methyl 5-(morpholin-4-ium-4-ylmethyl)-2-oxidanyl-benzoate Openeye Name: methyl 2-hydroxy-5-(morpholin-4-ium-4-ylmethyl)benzoate CAS Name: 2-hydroxy-5-(4-morpholin-4-iumylmethyl)benzoic acid methyl ester IUPAC Name: methyl 2-hydroxy-5-(morpholin-4-ium-4-ylmethyl)benzoate Traditional Name: 2-hydroxy-5-(morpholin-4-ium-4-ylmethyl)benzoic acid methyl ester Formula: C13H18NO4+ MolecularWeight: 252.28632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO4/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/p+1