4-[6-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]pyridin-1-ium-3-yl]sulfonylmorpholine

Systemtic Name: 4-[6-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]pyridin-1-ium-3-yl]sulfonylmorpholine Openeye Name: 4-[6-[(2R)-2-(1,3-benzothiazol-2-yl)-1-piperidyl]pyridin-1-ium-3-yl]sulfonylmorpholine CAS Name: 4-[[6-[(2R)-2-(1,3-benzothiazol-2-yl)-1-piperidinyl]-3-pyridin-1-iumyl]sulfonyl]morpholine IUPAC Name: 4-[6-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]pyridin-1-ium-3-yl]sulfonylmorpholine Traditional Name: 4-[6-[(2R)-2-(1,3-benzothiazol-2-yl)piperidino]pyridin-1-ium-3-yl]sulfonylmorpholine Formula: C21H25N4O3S2+ MolecularWeight: 445.5782

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C2=NC3=CC=CC=C3S2)C4=[NH+]C=C(C=C4)S(=O)(=O)N5CCOCC5

Isomeric SMILES

C1CCN([C@H](C1)C2=NC3=CC=CC=C3S2)C4=[NH+]C=C(C=C4)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C21H24N4O3S2/c26-30(27,24-11-13-28-14-12-24)16-8-9-20(22-15-16)25-10-4-3-6-18(25)21-23-17-5-1-2-7-19(17)29-21/h1-2,5,7-9,15,18H,3-4,6,10-14H2/p+1/t18-/m1/s1