1,3-benzodioxol-5-yl-[(3S)-1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-1-ium-3-yl]methanone

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC3=NSN=C3C=C2)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC3=NSN=C3C=C2)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C20H19N3O3S/c24-20(14-4-6-18-19(9-14)26-12-25-18)15-2-1-7-23(11-15)10-13-3-5-16-17(8-13)22-27-21-16/h3-6,8-9,15H,1-2,7,10-12H2/p+1/t15-/m0/s1