2-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3-benzothiazole

Systemtic Name: 2-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3-benzothiazole Openeye Name: 2-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,3-benzothiazole CAS Name: 2-[(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)methyl]-1,3-benzothiazole IUPAC Name: 2-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3-benzothiazole Traditional Name: 2-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,3-benzothiazole Formula: C16H18N3O2S3+ MolecularWeight: 380.52802

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C16H17N3O2S3/c20-24(21,16-6-3-11-22-16)19-9-7-18(8-10-19)12-15-17-13-4-1-2-5-14(13)23-15/h1-6,11H,7-10,12H2/p+1