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

Systemtic Name: [4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone Openeye Name: [4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]-(5-methyl-3-phenyl-isoxazol-4-yl)methanone CAS Name: [4-[(5-bromo-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-(5-methyl-3-phenyl-4-isoxazolyl)methanone IUPAC Name: [4-[(5-bromothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone Traditional Name: [4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]-(5-methyl-3-phenyl-isoxazol-4-yl)methanone Formula: C20H21BrN3O2S+ MolecularWeight: 447.36864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N3CC[NH+](CC3)CC4=CC=C(S4)Br

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N3CC[NH+](CC3)CC4=CC=C(S4)Br

InChI

InChI=1S/C20H20BrN3O2S/c1-14-18(19(22-26-14)15-5-3-2-4-6-15)20(25)24-11-9-23(10-12-24)13-16-7-8-17(21)27-16/h2-8H,9-13H2,1H3/p+1