2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]-1,3-benzothiazole; ethanedioic acid

Systemtic Name: 2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]-1,3-benzothiazole; ethanedioic acid Openeye Name: 2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-piperidyl]-1,3-benzothiazole; oxalic acid CAS Name: 2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-piperidinyl]-1,3-benzothiazole; oxalic acid IUPAC Name: 2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]-1,3-benzothiazole; oxalic acid Traditional Name: 2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-piperidyl]-1,3-benzothiazole; oxalic acid Formula: C23H24N2O6S MolecularWeight: 456.51146

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=CC=CC=C3S2)CC4COC5=CC=CC=C5O4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCC1C2=NC3=CC=CC=C3S2)CC4COC5=CC=CC=C5O4.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H22N2O2S.C2H2O4/c1-4-8-20-17(5-1)22-21(26-20)15-9-11-23(12-10-15)13-16-14-24-18-6-2-3-7-19(18)25-16;3-1(4)2(5)6/h1-8,15-16H,9-14H2;(H,3,4)(H,5,6)