4-[(1-phenylsulfanylnaphthalen-2-yl)methyl]-5-piperidin-4-yl-1,2-oxazol-3-one hydrobromide

Systemtic Name: 4-[(1-phenylsulfanylnaphthalen-2-yl)methyl]-5-piperidin-4-yl-1,2-oxazol-3-one hydrobromide Openeye Name: 4-[(1-phenylsulfanyl-2-naphthyl)methyl]-5-(4-piperidyl)isoxazol-3-one hydrobromide CAS Name: 4-[[1-(phenylthio)-2-naphthalenyl]methyl]-5-(4-piperidinyl)-3-isoxazolone hydrobromide IUPAC Name: 4-[(1-phenylsulfanylnaphthalen-2-yl)methyl]-5-piperidin-4-yl-1,2-oxazol-3-one hydrobromide Traditional Name: 4-[[1-(phenylthio)-2-naphthyl]methyl]-5-(4-piperidyl)-4-isoxazolin-3-one hydrobromide Formula: C25H25BrN2O2S MolecularWeight: 497.4472

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C2=C(C(=O)NO2)CC3=C(C4=CC=CC=C4C=C3)SC5=CC=CC=C5.Br

Isomeric SMILES

C1CNCCC1C2=C(C(=O)NO2)CC3=C(C4=CC=CC=C4C=C3)SC5=CC=CC=C5.Br

InChI

InChI=1S/C25H24N2O2S.BrH/c28-25-22(23(29-27-25)18-12-14-26-15-13-18)16-19-11-10-17-6-4-5-9-21(17)24(19)30-20-7-2-1-3-8-20;/h1-11,18,26H,12-16H2,(H,27,28);1H