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

Systemtic Name: [4-[[2-(5-bromanyl-2-methoxy-phenyl)-1,3-thiazol-4-yl]methyl]piperazin-4-ium-1-yl]-phenyl-methanone Openeye Name: [4-[[2-(5-bromo-2-methoxy-phenyl)thiazol-4-yl]methyl]piperazin-4-ium-1-yl]-phenyl-methanone CAS Name: [4-[[2-(5-bromo-2-methoxyphenyl)-4-thiazolyl]methyl]-1-piperazin-4-iumyl]-phenylmethanone IUPAC Name: [4-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-4-ium-1-yl]-phenylmethanone Traditional Name: [4-[[2-(5-bromo-2-methoxy-phenyl)thiazol-4-yl]methyl]piperazin-4-ium-1-yl]-phenyl-methanone Formula: C22H23BrN3O2S+ MolecularWeight: 473.40592

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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=C4

Isomeric SMILES

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

InChI

InChI=1S/C22H22BrN3O2S/c1-28-20-8-7-17(23)13-19(20)21-24-18(15-29-21)14-25-9-11-26(12-10-25)22(27)16-5-3-2-4-6-16/h2-8,13,15H,9-12,14H2,1H3/p+1