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

Systemtic Name: ethanedioate; N-[1-[3-(3-fluoranylphenoxy)propyl]pyrrolidin-3-yl]-N-methyl-1,3-benzothiazol-2-amine Openeye Name: N-[1-[3-(3-fluorophenoxy)propyl]pyrrolidin-3-yl]-N-methyl-1,3-benzothiazol-2-amine; oxalate CAS Name: N-[1-[3-(3-fluorophenoxy)propyl]-3-pyrrolidinyl]-N-methyl-1,3-benzothiazol-2-amine; oxalate IUPAC Name: N-[1-[3-(3-fluorophenoxy)propyl]pyrrolidin-3-yl]-N-methyl-1,3-benzothiazol-2-amine; oxalate Traditional Name: 1,3-benzothiazol-2-yl-[1-[3-(3-fluorophenoxy)propyl]pyrrolidin-3-yl]-methyl-amine; oxalate Formula: C23H24FN3O5S-2 MolecularWeight: 473.517163

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCN(C1)CCCOC2=CC(=CC=C2)F)C3=NC4=CC=CC=C4S3.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CN(C1CCN(C1)CCCOC2=CC(=CC=C2)F)C3=NC4=CC=CC=C4S3.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C21H24FN3OS.C2H2O4/c1-24(21-23-19-8-2-3-9-20(19)27-21)17-10-12-25(15-17)11-5-13-26-18-7-4-6-16(22)14-18;3-1(4)2(5)6/h2-4,6-9,14,17H,5,10-13,15H2,1H3;(H,3,4)(H,5,6)/p-2