4-bromanyl-2-methyl-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbothioyl-pyrazole-3-carboxamide

Systemtic Name: 4-bromanyl-2-methyl-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbothioyl-pyrazole-3-carboxamide Openeye Name: 4-bromo-2-methyl-N-(4-pyridin-1-ium-2-ylpiperazine-1-carbothioyl)pyrazole-3-carboxamide CAS Name: 4-bromo-2-methyl-N-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]-sulfanylidenemethyl]-3-pyrazolecarboxamide IUPAC Name: 4-bromo-2-methyl-N-(4-pyridin-1-ium-2-ylpiperazine-1-carbothioyl)pyrazole-3-carboxamide Traditional Name: 4-bromo-2-methyl-N-(4-pyridin-1-ium-2-ylpiperazine-1-carbothioyl)pyrazole-3-carboxamide Formula: C15H18BrN6OS+ MolecularWeight: 410.31202

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)Br)C(=O)NC(=S)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CN1C(=C(C=N1)Br)C(=O)NC(=S)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C15H17BrN6OS/c1-20-13(11(16)10-18-20)14(23)19-15(24)22-8-6-21(7-9-22)12-4-2-3-5-17-12/h2-5,10H,6-9H2,1H3,(H,19,23,24)/p+1