4-(3-phenylpropyl)-5-piperidin-1-ium-4-yl-1,2-oxazol-3-one bromide

Systemtic Name: 4-(3-phenylpropyl)-5-piperidin-1-ium-4-yl-1,2-oxazol-3-one bromide Openeye Name: 4-(3-phenylpropyl)-5-piperidin-1-ium-4-yl-isoxazol-3-one bromide CAS Name: 4-(3-phenylpropyl)-5-(4-piperidin-1-iumyl)-3-isoxazolone bromide IUPAC Name: 4-(3-phenylpropyl)-5-piperidin-1-ium-4-yl-1,2-oxazol-3-one bromide Traditional Name: 4-(3-phenylpropyl)-5-piperidin-1-ium-4-yl-4-isoxazolin-3-one bromide Formula: C17H23BrN2O2 MolecularWeight: 367.28072

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCC1C2=C(C(=O)NO2)CCCC3=CC=CC=C3.[Br-]

Isomeric SMILES

C1C[NH2+]CCC1C2=C(C(=O)NO2)CCCC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C17H22N2O2.BrH/c20-17-15(8-4-7-13-5-2-1-3-6-13)16(21-19-17)14-9-11-18-12-10-14;/h1-3,5-6,14,18H,4,7-12H2,(H,19,20);1H