ethanedioate; 5-methoxy-N-[1-[4-(4-methoxyphenoxy)butyl]piperidin-4-yl]-N-methyl-1,3-benzothiazol-2-amine

Systemtic Name: ethanedioate; 5-methoxy-N-[1-[4-(4-methoxyphenoxy)butyl]piperidin-4-yl]-N-methyl-1,3-benzothiazol-2-amine Openeye Name: 5-methoxy-N-[1-[4-(4-methoxyphenoxy)butyl]-4-piperidyl]-N-methyl-1,3-benzothiazol-2-amine; oxalate CAS Name: 5-methoxy-N-[1-[4-(4-methoxyphenoxy)butyl]-4-piperidinyl]-N-methyl-1,3-benzothiazol-2-amine; oxalate IUPAC Name: 5-methoxy-N-[1-[4-(4-methoxyphenoxy)butyl]piperidin-4-yl]-N-methyl-1,3-benzothiazol-2-amine; oxalate Traditional Name: (5-methoxy-1,3-benzothiazol-2-yl)-[1-[4-(4-methoxyphenoxy)butyl]-4-piperidyl]-methyl-amine; oxalate Formula: C27H33N3O7S-2 MolecularWeight: 543.63182

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCN(CC1)CCCCOC2=CC=C(C=C2)OC)C3=NC4=C(S3)C=CC(=C4)OC.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CN(C1CCN(CC1)CCCCOC2=CC=C(C=C2)OC)C3=NC4=C(S3)C=CC(=C4)OC.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C25H33N3O3S.C2H2O4/c1-27(25-26-23-18-22(30-3)10-11-24(23)32-25)19-12-15-28(16-13-19)14-4-5-17-31-21-8-6-20(29-2)7-9-21;3-1(4)2(5)6/h6-11,18-19H,4-5,12-17H2,1-3H3;(H,3,4)(H,5,6)/p-2