4-phenethyl-5-piperidin-1-ium-4-yl-1,2-oxazol-3-one bromide

Systemtic Name: 4-phenethyl-5-piperidin-1-ium-4-yl-1,2-oxazol-3-one bromide Openeye Name: 4-phenethyl-5-piperidin-1-ium-4-yl-isoxazol-3-one bromide CAS Name: 4-phenethyl-5-(4-piperidin-1-iumyl)-3-isoxazolone bromide IUPAC Name: 4-phenethyl-5-piperidin-1-ium-4-yl-1,2-oxazol-3-one bromide Traditional Name: 4-phenethyl-5-piperidin-1-ium-4-yl-4-isoxazolin-3-one bromide Formula: C16H21BrN2O2 MolecularWeight: 353.25414

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCC1C2=C(C(=O)NO2)CCC3=CC=CC=C3.[Br-]

Isomeric SMILES

C1C[NH2+]CCC1C2=C(C(=O)NO2)CCC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C16H20N2O2.BrH/c19-16-14(7-6-12-4-2-1-3-5-12)15(20-18-16)13-8-10-17-11-9-13;/h1-5,13,17H,6-11H2,(H,18,19);1H