methyl 2-[4-bromanyl-2-(morpholin-4-ium-4-ylmethyl)phenoxy]ethanoate

Systemtic Name: methyl 2-[4-bromanyl-2-(morpholin-4-ium-4-ylmethyl)phenoxy]ethanoate Openeye Name: methyl 2-[4-bromo-2-(morpholin-4-ium-4-ylmethyl)phenoxy]acetate CAS Name: 2-[4-bromo-2-(4-morpholin-4-iumylmethyl)phenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[4-bromo-2-(morpholin-4-ium-4-ylmethyl)phenoxy]acetate Traditional Name: 2-[4-bromo-2-(morpholin-4-ium-4-ylmethyl)phenoxy]acetic acid methyl ester Formula: C14H19BrNO4+ MolecularWeight: 345.20896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18BrNO4/c1-18-14(17)10-20-13-3-2-12(15)8-11(13)9-16-4-6-19-7-5-16/h2-3,8H,4-7,9-10H2,1H3/p+1