2-[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-4-ium-1-yl]-1,3-benzothiazole

Systemtic Name: 2-[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-4-ium-1-yl]-1,3-benzothiazole Openeye Name: 2-[4-[[2-(4-methoxyphenyl)thiazol-4-yl]methyl]piperazin-4-ium-1-yl]-1,3-benzothiazole CAS Name: 2-[4-[[2-(4-methoxyphenyl)-4-thiazolyl]methyl]-1-piperazin-4-iumyl]-1,3-benzothiazole IUPAC Name: 2-[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-4-ium-1-yl]-1,3-benzothiazole Traditional Name: 2-[4-[[2-(4-methoxyphenyl)thiazol-4-yl]methyl]piperazin-4-ium-1-yl]-1,3-benzothiazole Formula: C22H23N4OS2+ MolecularWeight: 423.57422

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=CS2)C[NH+]3CCN(CC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=CS2)C[NH+]3CCN(CC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H22N4OS2/c1-27-18-8-6-16(7-9-18)21-23-17(15-28-21)14-25-10-12-26(13-11-25)22-24-19-4-2-3-5-20(19)29-22/h2-9,15H,10-14H2,1H3/p+1