ethanedioate; N-[1-[3-(3-fluoranylphenoxy)propyl]piperidin-3-yl]-N-methyl-1,3-benzothiazol-2-amine

Systemtic Name: ethanedioate; N-[1-[3-(3-fluoranylphenoxy)propyl]piperidin-3-yl]-N-methyl-1,3-benzothiazol-2-amine Openeye Name: N-[1-[3-(3-fluorophenoxy)propyl]-3-piperidyl]-N-methyl-1,3-benzothiazol-2-amine; oxalate CAS Name: N-[1-[3-(3-fluorophenoxy)propyl]-3-piperidinyl]-N-methyl-1,3-benzothiazol-2-amine; oxalate IUPAC Name: N-[1-[3-(3-fluorophenoxy)propyl]piperidin-3-yl]-N-methyl-1,3-benzothiazol-2-amine; oxalate Traditional Name: 1,3-benzothiazol-2-yl-[1-[3-(3-fluorophenoxy)propyl]-3-piperidyl]-methyl-amine; oxalate Formula: C24H26FN3O5S-2 MolecularWeight: 487.543743

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCN(C1)CCCOC2=CC(=CC=C2)F)C3=NC4=CC=CC=C4S3.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CN(C1CCCN(C1)CCCOC2=CC(=CC=C2)F)C3=NC4=CC=CC=C4S3.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C22H26FN3OS.C2H2O4/c1-25(22-24-20-10-2-3-11-21(20)28-22)18-8-5-12-26(16-18)13-6-14-27-19-9-4-7-17(23)15-19;3-1(4)2(5)6/h2-4,7,9-11,15,18H,5-6,8,12-14,16H2,1H3;(H,3,4)(H,5,6)/p-2