2-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]methyl]-1,3-benzothiazole

Systemtic Name: 2-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]methyl]-1,3-benzothiazole Openeye Name: 2-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]methyl]-1,3-benzothiazole CAS Name: 2-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidin-1-iumyl]methyl]-1,3-benzothiazole IUPAC Name: 2-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]methyl]-1,3-benzothiazole Traditional Name: 2-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]methyl]-1,3-benzothiazole Formula: C20H21N2O2S+ MolecularWeight: 353.45794

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC2=NC3=CC=CC=C3S2)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1C[C@@H]([NH+](C1)CC2=NC3=CC=CC=C3S2)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C20H20N2O2S/c1-2-6-19-15(4-1)21-20(25-19)13-22-9-3-5-16(22)14-7-8-17-18(12-14)24-11-10-23-17/h1-2,4,6-8,12,16H,3,5,9-11,13H2/p+1/t16-/m1/s1