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

Systemtic Name: methyl 3-(morpholin-4-ium-4-ylmethyl)benzoate Openeye Name: methyl 3-(morpholin-4-ium-4-ylmethyl)benzoate CAS Name: 3-(4-morpholin-4-iumylmethyl)benzoic acid methyl ester IUPAC Name: methyl 3-(morpholin-4-ium-4-ylmethyl)benzoate Traditional Name: 3-(morpholin-4-ium-4-ylmethyl)benzoic acid methyl ester Formula: C13H18NO3+ MolecularWeight: 236.28692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO3/c1-16-13(15)12-4-2-3-11(9-12)10-14-5-7-17-8-6-14/h2-4,9H,5-8,10H2,1H3/p+1