2-[1-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl]piperidin-1-ium-4-yl]-1,3-benzothiazole

Systemtic Name: 2-[1-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl]piperidin-1-ium-4-yl]-1,3-benzothiazole Openeye Name: 2-[1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperidin-1-ium-4-yl]-1,3-benzothiazole CAS Name: 2-[1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-4-piperidin-1-iumyl]-1,3-benzothiazole IUPAC Name: 2-[1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperidin-1-ium-4-yl]-1,3-benzothiazole Traditional Name: 2-[1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperidin-1-ium-4-yl]-1,3-benzothiazole Formula: C21H22ClN2O2S+ MolecularWeight: 401.92958

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC4=C5C(=CC(=C4)Cl)COCO5

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC4=C5C(=CC(=C4)Cl)COCO5

InChI

InChI=1S/C21H21ClN2O2S/c22-17-9-15(20-16(10-17)12-25-13-26-20)11-24-7-5-14(6-8-24)21-23-18-3-1-2-4-19(18)27-21/h1-4,9-10,14H,5-8,11-13H2/p+1