2-[(3R)-1-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)piperidin-3-yl]-1,3-benzothiazole

Systemtic Name: 2-[(3R)-1-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)piperidin-3-yl]-1,3-benzothiazole Openeye Name: 2-[(3R)-1-[5-(1-piperidylsulfonyl)pyridin-1-ium-2-yl]-3-piperidyl]-1,3-benzothiazole CAS Name: 2-[(3R)-1-[5-(1-piperidinylsulfonyl)-2-pyridin-1-iumyl]-3-piperidinyl]-1,3-benzothiazole IUPAC Name: 2-[(3R)-1-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)piperidin-3-yl]-1,3-benzothiazole Traditional Name: 2-[(3R)-1-(5-piperidinosulfonylpyridin-1-ium-2-yl)-3-piperidyl]-1,3-benzothiazole Formula: C22H27N4O2S2+ MolecularWeight: 443.60538

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CCCC(C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CCC[C@H](C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H26N4O2S2/c27-30(28,26-13-4-1-5-14-26)18-10-11-21(23-15-18)25-12-6-7-17(16-25)22-24-19-8-2-3-9-20(19)29-22/h2-3,8-11,15,17H,1,4-7,12-14,16H2/p+1/t17-/m1/s1