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

Systemtic Name: 4-(diphenylmethyl)-5-piperidin-1-ium-4-yl-1,2-oxazol-3-one bromide Openeye Name: 4-benzhydryl-5-piperidin-1-ium-4-yl-isoxazol-3-one bromide CAS Name: 4-(diphenylmethyl)-5-(4-piperidin-1-iumyl)-3-isoxazolone bromide IUPAC Name: 4-benzhydryl-5-piperidin-1-ium-4-yl-1,2-oxazol-3-one bromide Traditional Name: 4-benzhydryl-5-piperidin-1-ium-4-yl-4-isoxazolin-3-one bromide Formula: C21H23BrN2O2 MolecularWeight: 415.32352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O2.BrH/c24-21-19(20(25-23-21)17-11-13-22-14-12-17)18(15-7-3-1-4-8-15)16-9-5-2-6-10-16;/h1-10,17-18,22H,11-14H2,(H,23,24);1H