3-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1,2-benzothiazole 1,1-dioxide

Systemtic Name: 3-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1,2-benzothiazole 1,1-dioxide Openeye Name: 3-(4-benzylpiperazin-4-ium-1-yl)-1,2-benzothiazole 1,1-dioxide CAS Name: 3-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1,2-benzothiazole 1,1-dioxide IUPAC Name: 3-(4-benzylpiperazin-4-ium-1-yl)-1,2-benzothiazole 1,1-dioxide Traditional Name: 3-(4-benzylpiperazin-4-ium-1-yl)-1,2-benzothiazole 1,1-dioxide Formula: C18H20N3O2S+ MolecularWeight: 342.4353

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C18H19N3O2S/c22-24(23)17-9-5-4-8-16(17)18(19-24)21-12-10-20(11-13-21)14-15-6-2-1-3-7-15/h1-9H,10-14H2/p+1