3-[[4-[(5-bromanylthiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]methyl]-5-phenyl-1,2-oxazole

Systemtic Name: 3-[[4-[(5-bromanylthiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]methyl]-5-phenyl-1,2-oxazole Openeye Name: 3-[[4-[(5-bromo-2-thienyl)methyl]piperazine-1,4-diium-1-yl]methyl]-5-phenyl-isoxazole CAS Name: 3-[[4-[(5-bromo-2-thiophenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]-5-phenylisoxazole IUPAC Name: 3-[[4-[(5-bromothiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]methyl]-5-phenyl-1,2-oxazole Traditional Name: 3-[[4-[(5-bromo-2-thienyl)methyl]piperazine-1,4-diium-1-yl]methyl]-5-phenyl-isoxazole Formula: C19H22BrN3OS+2 MolecularWeight: 420.36648

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=C(S2)Br)CC3=NOC(=C3)C4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=C(S2)Br)CC3=NOC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C19H20BrN3OS/c20-19-7-6-17(25-19)14-23-10-8-22(9-11-23)13-16-12-18(24-21-16)15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2/p+2