2-[[4-[2-(4-methoxyphenoxy)ethyl]piperazine-1,4-diium-1-yl]methyl]-1,3-benzothiazole

Systemtic Name: 2-[[4-[2-(4-methoxyphenoxy)ethyl]piperazine-1,4-diium-1-yl]methyl]-1,3-benzothiazole Openeye Name: 2-[[4-[2-(4-methoxyphenoxy)ethyl]piperazine-1,4-diium-1-yl]methyl]-1,3-benzothiazole CAS Name: 2-[[4-[2-(4-methoxyphenoxy)ethyl]-1-piperazine-1,4-diiumyl]methyl]-1,3-benzothiazole IUPAC Name: 2-[[4-[2-(4-methoxyphenoxy)ethyl]piperazine-1,4-diium-1-yl]methyl]-1,3-benzothiazole Traditional Name: 2-[[4-[2-(4-methoxyphenoxy)ethyl]piperazine-1,4-diium-1-yl]methyl]-1,3-benzothiazole Formula: C21H27N3O2S+2 MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC[NH+]2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=C(C=C1)OCC[NH+]2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H25N3O2S/c1-25-17-6-8-18(9-7-17)26-15-14-23-10-12-24(13-11-23)16-21-22-19-4-2-3-5-20(19)27-21/h2-9H,10-16H2,1H3/p+2