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

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

C1CC(CN(C1)C2=[NH+]C=C(C=C2)S(=O)(=O)N3CCOCC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@H](CN(C1)C2=[NH+]C=C(C=C2)S(=O)(=O)N3CCOCC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H24N4O3S2/c26-30(27,25-10-12-28-13-11-25)17-7-8-20(22-14-17)24-9-3-4-16(15-24)21-23-18-5-1-2-6-19(18)29-21/h1-2,5-8,14,16H,3-4,9-13,15H2/p+1/t16-/m1/s1