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

Systemtic Name: ethanedioate; N-methyl-N-[1-(4-phenoxybutyl)pyrrolidin-3-yl]-1,3-benzothiazol-2-amine Openeye Name: N-methyl-N-[1-(4-phenoxybutyl)pyrrolidin-3-yl]-1,3-benzothiazol-2-amine; oxalate CAS Name: N-methyl-N-[1-(4-phenoxybutyl)-3-pyrrolidinyl]-1,3-benzothiazol-2-amine; oxalate IUPAC Name: N-methyl-N-[1-(4-phenoxybutyl)pyrrolidin-3-yl]-1,3-benzothiazol-2-amine; oxalate Traditional Name: 1,3-benzothiazol-2-yl-methyl-[1-(4-phenoxybutyl)pyrrolidin-3-yl]amine; oxalate Formula: C24H27N3O5S-2 MolecularWeight: 469.55328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3OS.C2H2O4/c1-24(22-23-20-11-5-6-12-21(20)27-22)18-13-15-25(17-18)14-7-8-16-26-19-9-3-2-4-10-19;3-1(4)2(5)6/h2-6,9-12,18H,7-8,13-17H2,1H3;(H,3,4)(H,5,6)/p-2