ethanedioate; N-[1-[4-(4-fluoranylphenoxy)butyl]piperidin-3-yl]-N-methyl-1,3-benzothiazol-2-amine

Systemtic Name: ethanedioate; N-[1-[4-(4-fluoranylphenoxy)butyl]piperidin-3-yl]-N-methyl-1,3-benzothiazol-2-amine Openeye Name: N-[1-[4-(4-fluorophenoxy)butyl]-3-piperidyl]-N-methyl-1,3-benzothiazol-2-amine; oxalate CAS Name: N-[1-[4-(4-fluorophenoxy)butyl]-3-piperidinyl]-N-methyl-1,3-benzothiazol-2-amine; oxalate IUPAC Name: N-[1-[4-(4-fluorophenoxy)butyl]piperidin-3-yl]-N-methyl-1,3-benzothiazol-2-amine; oxalate Traditional Name: 1,3-benzothiazol-2-yl-[1-[4-(4-fluorophenoxy)butyl]-3-piperidyl]-methyl-amine; oxalate Formula: C25H28FN3O5S-2 MolecularWeight: 501.570323

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCN(C1)CCCCOC2=CC=C(C=C2)F)C3=NC4=CC=CC=C4S3.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CN(C1CCCN(C1)CCCCOC2=CC=C(C=C2)F)C3=NC4=CC=CC=C4S3.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C23H28FN3OS.C2H2O4/c1-26(23-25-21-8-2-3-9-22(21)29-23)19-7-6-15-27(17-19)14-4-5-16-28-20-12-10-18(24)11-13-20;3-1(4)2(5)6/h2-3,8-13,19H,4-7,14-17H2,1H3;(H,3,4)(H,5,6)/p-2