3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-1,2-benzothiazole 1,1-dioxide

Systemtic Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-1,2-benzothiazole 1,1-dioxide Openeye Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-1,2-benzothiazole 1,1-dioxide CAS Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-1,2-benzothiazole 1,1-dioxide IUPAC Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-1,2-benzothiazole 1,1-dioxide Traditional Name: 3-(4-piperonylpiperazin-4-ium-1-yl)-1,2-benzothiazole 1,1-dioxide Formula: C19H20N3O4S+ MolecularWeight: 386.4448

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C4=NS(=O)(=O)C5=CC=CC=C54

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C4=NS(=O)(=O)C5=CC=CC=C54

InChI

InChI=1S/C19H19N3O4S/c23-27(24)18-4-2-1-3-15(18)19(20-27)22-9-7-21(8-10-22)12-14-5-6-16-17(11-14)26-13-25-16/h1-6,11H,7-10,12-13H2/p+1