2-(4-bromanylphenoxy)-5-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3-thiazole

Systemtic Name: 2-(4-bromanylphenoxy)-5-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3-thiazole Openeye Name: 2-(4-bromophenoxy)-5-[(4-phenylpiperazin-1-ium-1-yl)methyl]thiazole CAS Name: 2-(4-bromophenoxy)-5-[(4-phenyl-1-piperazin-1-iumyl)methyl]thiazole IUPAC Name: 2-(4-bromophenoxy)-5-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3-thiazole Traditional Name: 2-(4-bromophenoxy)-5-[(4-phenylpiperazin-1-ium-1-yl)methyl]thiazole Formula: C20H21BrN3OS+ MolecularWeight: 431.36924

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CN=C(S2)OC3=CC=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CN=C(S2)OC3=CC=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C20H20BrN3OS/c21-16-6-8-18(9-7-16)25-20-22-14-19(26-20)15-23-10-12-24(13-11-23)17-4-2-1-3-5-17/h1-9,14H,10-13,15H2/p+1