[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(1,3-benzothiazol-6-yl)methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(1,3-benzothiazol-6-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(1,3-benzothiazol-6-yl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-(1,3-benzothiazol-6-yl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(1,3-benzothiazol-6-yl)methanone Traditional Name: 1,3-benzothiazol-6-yl-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C20H20N3O3S+ MolecularWeight: 382.4561

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC5=C(C=C4)N=CS5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC5=C(C=C4)N=CS5

InChI

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