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

Systemtic Name: 4-(4,4-diphenylbutyl)-5-piperidin-1-ium-4-yl-1,2-oxazol-3-one bromide Openeye Name: 4-(4,4-diphenylbutyl)-5-piperidin-1-ium-4-yl-isoxazol-3-one bromide CAS Name: 4-(4,4-diphenylbutyl)-5-(4-piperidin-1-iumyl)-3-isoxazolone bromide IUPAC Name: 4-(4,4-diphenylbutyl)-5-piperidin-1-ium-4-yl-1,2-oxazol-3-one bromide Traditional Name: 4-(4,4-diphenylbutyl)-5-piperidin-1-ium-4-yl-4-isoxazolin-3-one bromide Formula: C24H29BrN2O2 MolecularWeight: 457.40326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O2.BrH/c27-24-22(23(28-26-24)20-14-16-25-17-15-20)13-7-12-21(18-8-3-1-4-9-18)19-10-5-2-6-11-19;/h1-6,8-11,20-21,25H,7,12-17H2,(H,26,27);1H