[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methanone

Systemtic Name: [4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methanone Openeye Name: [4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methanone CAS Name: [4-[(5-bromo-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methanone IUPAC Name: [4-[(5-bromothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methanone Traditional Name: [4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methanone Formula: C20H22BrN4O2S+ MolecularWeight: 462.38328

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C=NN2)C(=O)N3CC[NH+](CC3)CC4=CC=C(S4)Br

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C=NN2)C(=O)N3CC[NH+](CC3)CC4=CC=C(S4)Br

InChI

InChI=1S/C20H21BrN4O2S/c1-27-15-4-2-14(3-5-15)19-17(12-22-23-19)20(26)25-10-8-24(9-11-25)13-16-6-7-18(21)28-16/h2-7,12H,8-11,13H2,1H3,(H,22,23)/p+1