[4-[[2-(5-bromanyl-2-methoxy-phenyl)-1,3-thiazol-4-yl]methyl]piperazin-4-ium-1-yl]-pyridin-2-yl-methanone

Systemtic Name: [4-[[2-(5-bromanyl-2-methoxy-phenyl)-1,3-thiazol-4-yl]methyl]piperazin-4-ium-1-yl]-pyridin-2-yl-methanone Openeye Name: [4-[[2-(5-bromo-2-methoxy-phenyl)thiazol-4-yl]methyl]piperazin-4-ium-1-yl]-(2-pyridyl)methanone CAS Name: [4-[[2-(5-bromo-2-methoxyphenyl)-4-thiazolyl]methyl]-1-piperazin-4-iumyl]-(2-pyridinyl)methanone IUPAC Name: [4-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-4-ium-1-yl]-pyridin-2-ylmethanone Traditional Name: [4-[[2-(5-bromo-2-methoxy-phenyl)thiazol-4-yl]methyl]piperazin-4-ium-1-yl]-(2-pyridyl)methanone Formula: C21H22BrN4O2S+ MolecularWeight: 474.39398

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C2=NC(=CS2)C[NH+]3CCN(CC3)C(=O)C4=CC=CC=N4

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C2=NC(=CS2)C[NH+]3CCN(CC3)C(=O)C4=CC=CC=N4

InChI

InChI=1S/C21H21BrN4O2S/c1-28-19-6-5-15(22)12-17(19)20-24-16(14-29-20)13-25-8-10-26(11-9-25)21(27)18-4-2-3-7-23-18/h2-7,12,14H,8-11,13H2,1H3/p+1