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

Systemtic Name: 4-(2-naphthalen-1-ylethyl)-5-piperidin-1-ium-4-yl-1,2-oxazol-3-one bromide Openeye Name: 4-[2-(1-naphthyl)ethyl]-5-piperidin-1-ium-4-yl-isoxazol-3-one bromide CAS Name: 4-[2-(1-naphthalenyl)ethyl]-5-(4-piperidin-1-iumyl)-3-isoxazolone bromide IUPAC Name: 4-(2-naphthalen-1-ylethyl)-5-piperidin-1-ium-4-yl-1,2-oxazol-3-one bromide Traditional Name: 4-[2-(1-naphthyl)ethyl]-5-piperidin-1-ium-4-yl-4-isoxazolin-3-one bromide Formula: C20H23BrN2O2 MolecularWeight: 403.31282

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCC1C2=C(C(=O)NO2)CCC3=CC=CC4=CC=CC=C43.[Br-]

Isomeric SMILES

C1C[NH2+]CCC1C2=C(C(=O)NO2)CCC3=CC=CC4=CC=CC=C43.[Br-]

InChI

InChI=1S/C20H22N2O2.BrH/c23-20-18(19(24-22-20)16-10-12-21-13-11-16)9-8-15-6-3-5-14-4-1-2-7-17(14)15;/h1-7,16,21H,8-13H2,(H,22,23);1H