N-[[(3R)-1-(1,3-benzothiazol-2-ylmethyl)piperidin-1-ium-3-yl]methyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[[(3R)-1-(1,3-benzothiazol-2-ylmethyl)piperidin-1-ium-3-yl]methyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[(3R)-1-(1,3-benzothiazol-2-ylmethyl)piperidin-1-ium-3-yl]methyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[(3R)-1-(1,3-benzothiazol-2-ylmethyl)-3-piperidin-1-iumyl]methyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[(3R)-1-(1,3-benzothiazol-2-ylmethyl)piperidin-1-ium-3-yl]methyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[(3R)-1-(1,3-benzothiazol-2-ylmethyl)piperidin-1-ium-3-yl]methyl]-piperonylamide Formula: C22H24N3O3S+ MolecularWeight: 410.50926

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=NC3=CC=CC=C3S2)CNC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=NC3=CC=CC=C3S2)CNC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H23N3O3S/c26-22(16-7-8-18-19(10-16)28-14-27-18)23-11-15-4-3-9-25(12-15)13-21-24-17-5-1-2-6-20(17)29-21/h1-2,5-8,10,15H,3-4,9,11-14H2,(H,23,26)/p+1/t15-/m1/s1