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

Systemtic Name: N-[1-[4-(3-chloranylphenoxy)butyl]pyrrolidin-3-yl]-N-methyl-1,3-benzothiazol-2-amine; ethanedioate Openeye Name: N-[1-[4-(3-chlorophenoxy)butyl]pyrrolidin-3-yl]-N-methyl-1,3-benzothiazol-2-amine; oxalate CAS Name: N-[1-[4-(3-chlorophenoxy)butyl]-3-pyrrolidinyl]-N-methyl-1,3-benzothiazol-2-amine; oxalate IUPAC Name: N-[1-[4-(3-chlorophenoxy)butyl]pyrrolidin-3-yl]-N-methyl-1,3-benzothiazol-2-amine; oxalate Traditional Name: 1,3-benzothiazol-2-yl-[1-[4-(3-chlorophenoxy)butyl]pyrrolidin-3-yl]-methyl-amine; oxalate Formula: C24H26ClN3O5S-2 MolecularWeight: 503.99834

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCN(C1)CCCCOC2=CC(=CC=C2)Cl)C3=NC4=CC=CC=C4S3.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CN(C1CCN(C1)CCCCOC2=CC(=CC=C2)Cl)C3=NC4=CC=CC=C4S3.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C22H26ClN3OS.C2H2O4/c1-25(22-24-20-9-2-3-10-21(20)28-22)18-11-13-26(16-18)12-4-5-14-27-19-8-6-7-17(23)15-19;3-1(4)2(5)6/h2-3,6-10,15,18H,4-5,11-14,16H2,1H3;(H,3,4)(H,5,6)/p-2