1-morpholin-4-ium-4-ylpropan-2-yl 3-bromanylbenzoate chloride

Systemtic Name: 1-morpholin-4-ium-4-ylpropan-2-yl 3-bromanylbenzoate chloride Openeye Name: (1-methyl-2-morpholin-4-ium-4-yl-ethyl) 3-bromobenzoate chloride CAS Name: 3-bromobenzoic acid 1-(4-morpholin-4-iumyl)propan-2-yl ester chloride IUPAC Name: 1-morpholin-4-ium-4-ylpropan-2-yl 3-bromobenzoate chloride Traditional Name: 3-bromobenzoic acid (1-methyl-2-morpholin-4-ium-4-yl-ethyl) ester chloride Formula: C14H19BrClNO3 MolecularWeight: 364.66256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCOCC1)OC(=O)C2=CC(=CC=C2)Br.[Cl-]

Isomeric SMILES

CC(C[NH+]1CCOCC1)OC(=O)C2=CC(=CC=C2)Br.[Cl-]

InChI

InChI=1S/C14H18BrNO3.ClH/c1-11(10-16-5-7-18-8-6-16)19-14(17)12-3-2-4-13(15)9-12;/h2-4,9,11H,5-8,10H2,1H3;1H