2-[[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzothiazole

Systemtic Name: 2-[[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzothiazole Openeye Name: 2-[[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzothiazole CAS Name: 2-[[4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1,3-benzothiazole IUPAC Name: 2-[[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzothiazole Traditional Name: 2-[[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzothiazole Formula: C20H24N3O4S2+ MolecularWeight: 434.55226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3)OC

InChI

InChI=1S/C20H23N3O4S2/c1-26-17-8-7-15(13-18(17)27-2)29(24,25)23-11-9-22(10-12-23)14-20-21-16-5-3-4-6-19(16)28-20/h3-8,13H,9-12,14H2,1-2H3/p+1