[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone

Systemtic Name: [4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone Openeye Name: [4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]-(5-phenylisoxazol-3-yl)methanone CAS Name: [4-[(5-bromo-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-(5-phenyl-3-isoxazolyl)methanone IUPAC Name: [4-[(5-bromothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone Traditional Name: [4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]-(5-phenylisoxazol-3-yl)methanone Formula: C19H19BrN3O2S+ MolecularWeight: 433.34206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(S2)Br)C(=O)C3=NOC(=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(S2)Br)C(=O)C3=NOC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C19H18BrN3O2S/c20-18-7-6-15(26-18)13-22-8-10-23(11-9-22)19(24)16-12-17(25-21-16)14-4-2-1-3-5-14/h1-7,12H,8-11,13H2/p+1