5-[[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-1-ium-1-yl]methyl]quinolin-8-olate

Systemtic Name: 5-[[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-1-ium-1-yl]methyl]quinolin-8-olate Openeye Name: 5-[[4-[(5-bromo-2-thienyl)methyl]piperazin-1-ium-1-yl]methyl]quinolin-8-olate CAS Name: 5-[[4-[(5-bromo-2-thiophenyl)methyl]-1-piperazin-1-iumyl]methyl]-8-quinolinolate IUPAC Name: 5-[[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-ium-1-yl]methyl]quinolin-8-olate Traditional Name: 5-[[4-[(5-bromo-2-thienyl)methyl]piperazin-1-ium-1-yl]methyl]quinolin-8-olate Formula: C19H20BrN3OS MolecularWeight: 418.3506

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C3C=CC=NC3=C(C=C2)[O-])CC4=CC=C(S4)Br

Isomeric SMILES

C1CN(CC[NH+]1CC2=C3C=CC=NC3=C(C=C2)[O-])CC4=CC=C(S4)Br

InChI

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