4-(5-phenylthiophen-3-yl)-5-piperidin-4-yl-1,2-oxazol-3-one hydrobromide

Systemtic Name: 4-(5-phenylthiophen-3-yl)-5-piperidin-4-yl-1,2-oxazol-3-one hydrobromide Openeye Name: 4-(5-phenyl-3-thienyl)-5-(4-piperidyl)isoxazol-3-one hydrobromide CAS Name: 4-(5-phenyl-3-thiophenyl)-5-(4-piperidinyl)-3-isoxazolone hydrobromide IUPAC Name: 4-(5-phenylthiophen-3-yl)-5-piperidin-4-yl-1,2-oxazol-3-one hydrobromide Traditional Name: 4-(5-phenyl-3-thienyl)-5-(4-piperidyl)-4-isoxazolin-3-one hydrobromide Formula: C18H19BrN2O2S MolecularWeight: 407.32466

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C2=C(C(=O)NO2)C3=CSC(=C3)C4=CC=CC=C4.Br

Isomeric SMILES

C1CNCCC1C2=C(C(=O)NO2)C3=CSC(=C3)C4=CC=CC=C4.Br

InChI

InChI=1S/C18H18N2O2S.BrH/c21-18-16(17(22-20-18)13-6-8-19-9-7-13)14-10-15(23-11-14)12-4-2-1-3-5-12;/h1-5,10-11,13,19H,6-9H2,(H,20,21);1H