hydron; 4-(1-phenylethylamino)oxane-3-carboxylate; bromide

Systemtic Name: hydron; 4-(1-phenylethylamino)oxane-3-carboxylate; bromide Openeye Name: hydron; 4-(1-phenylethylamino)tetrahydropyran-3-carboxylate; bromide CAS Name: hydron; 4-(1-phenylethylamino)-3-oxanecarboxylate; bromide IUPAC Name: hydron; 4-(1-phenylethylamino)oxane-3-carboxylate; bromide Traditional Name: hydron; 4-(1-phenylethylamino)tetrahydropyran-3-carboxylate; bromide Formula: C14H19BrNO3- MolecularWeight: 329.20956

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Descriptors Computed from Structure

Canonical SMILES:

[H+].CC(C1=CC=CC=C1)NC2CCOCC2C(=O)[O-].[Br-]

Isomeric SMILES

[H+].CC(C1=CC=CC=C1)NC2CCOCC2C(=O)[O-].[Br-]

InChI

InChI=1S/C14H19NO3.BrH/c1-10(11-5-3-2-4-6-11)15-13-7-8-18-9-12(13)14(16)17;/h2-6,10,12-13,15H,7-9H2,1H3,(H,16,17);1H/p-1