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

Systemtic Name: 4-(3,3-diphenylpropyl)-5-piperidin-1-ium-4-yl-1,2-oxazol-3-one bromide Openeye Name: 4-(3,3-diphenylpropyl)-5-piperidin-1-ium-4-yl-isoxazol-3-one bromide CAS Name: 4-(3,3-diphenylpropyl)-5-(4-piperidin-1-iumyl)-3-isoxazolone bromide IUPAC Name: 4-(3,3-diphenylpropyl)-5-piperidin-1-ium-4-yl-1,2-oxazol-3-one bromide Traditional Name: 4-(3,3-diphenylpropyl)-5-piperidin-1-ium-4-yl-4-isoxazolin-3-one bromide Formula: C23H27BrN2O2 MolecularWeight: 443.37668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O2.BrH/c26-23-21(22(27-25-23)19-13-15-24-16-14-19)12-11-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18;/h1-10,19-20,24H,11-16H2,(H,25,26);1H