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

Systemtic Name: 2-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-4-yl]-1,3-benzothiazole Openeye Name: 2-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-4-yl]-1,3-benzothiazole CAS Name: 2-[1-(1,3-benzodioxol-5-ylmethyl)-4-piperidin-1-iumyl]-1,3-benzothiazole IUPAC Name: 2-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-4-yl]-1,3-benzothiazole Traditional Name: 2-(1-piperonylpiperidin-1-ium-4-yl)-1,3-benzothiazole Formula: C20H21N2O2S+ MolecularWeight: 353.45794

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C20H20N2O2S/c1-2-4-19-16(3-1)21-20(25-19)15-7-9-22(10-8-15)12-14-5-6-17-18(11-14)24-13-23-17/h1-6,11,15H,7-10,12-13H2/p+1