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

Systemtic Name: N-[1-[4-(4-chloranylphenoxy)butyl]-3-methoxy-piperidin-4-yl]-N-methyl-1,3-benzothiazol-2-amine; ethanedioate Openeye Name: N-[1-[4-(4-chlorophenoxy)butyl]-3-methoxy-4-piperidyl]-N-methyl-1,3-benzothiazol-2-amine; oxalate CAS Name: N-[1-[4-(4-chlorophenoxy)butyl]-3-methoxy-4-piperidinyl]-N-methyl-1,3-benzothiazol-2-amine; oxalate IUPAC Name: N-[1-[4-(4-chlorophenoxy)butyl]-3-methoxypiperidin-4-yl]-N-methyl-1,3-benzothiazol-2-amine; oxalate Traditional Name: 1,3-benzothiazol-2-yl-[1-[4-(4-chlorophenoxy)butyl]-3-methoxy-4-piperidyl]-methyl-amine; oxalate Formula: C26H30ClN3O6S-2 MolecularWeight: 548.0509

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCN(CC1OC)CCCCOC2=CC=C(C=C2)Cl)C3=NC4=CC=CC=C4S3.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CN(C1CCN(CC1OC)CCCCOC2=CC=C(C=C2)Cl)C3=NC4=CC=CC=C4S3.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C24H30ClN3O2S.C2H2O4/c1-27(24-26-20-7-3-4-8-23(20)31-24)21-13-15-28(17-22(21)29-2)14-5-6-16-30-19-11-9-18(25)10-12-19;3-1(4)2(5)6/h3-4,7-12,21-22H,5-6,13-17H2,1-2H3;(H,3,4)(H,5,6)/p-2