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

Systemtic Name: 1,3-benzodioxol-5-yl-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]methanone Formula: C20H20N3O3S+ MolecularWeight: 382.4561

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C20H19N3O3S/c24-20(14-5-6-16-17(11-14)26-13-25-16)23-9-7-22(8-10-23)12-19-21-15-3-1-2-4-18(15)27-19/h1-6,11H,7-10,12-13H2/p+1