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

Systemtic Name: 4-(2,2-diphenylethyl)-5-piperidin-1-ium-4-yl-1,2-oxazol-3-one bromide Openeye Name: 4-(2,2-diphenylethyl)-5-piperidin-1-ium-4-yl-isoxazol-3-one bromide CAS Name: 4-(2,2-diphenylethyl)-5-(4-piperidin-1-iumyl)-3-isoxazolone bromide IUPAC Name: 4-(2,2-diphenylethyl)-5-piperidin-1-ium-4-yl-1,2-oxazol-3-one bromide Traditional Name: 4-(2,2-diphenylethyl)-5-piperidin-1-ium-4-yl-4-isoxazolin-3-one bromide Formula: C22H25BrN2O2 MolecularWeight: 429.3501

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCC1C2=C(C(=O)NO2)CC(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

C1C[NH2+]CCC1C2=C(C(=O)NO2)CC(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C22H24N2O2.BrH/c25-22-20(21(26-24-22)18-11-13-23-14-12-18)15-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17;/h1-10,18-19,23H,11-15H2,(H,24,25);1H