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

Systemtic Name: ethanedioate; N-[1-[4-(4-methoxyphenoxy)butyl]piperidin-3-yl]-N-methyl-1,3-benzothiazol-2-amine Openeye Name: N-[1-[4-(4-methoxyphenoxy)butyl]-3-piperidyl]-N-methyl-1,3-benzothiazol-2-amine; oxalate CAS Name: N-[1-[4-(4-methoxyphenoxy)butyl]-3-piperidinyl]-N-methyl-1,3-benzothiazol-2-amine; oxalate IUPAC Name: N-[1-[4-(4-methoxyphenoxy)butyl]piperidin-3-yl]-N-methyl-1,3-benzothiazol-2-amine; oxalate Traditional Name: 1,3-benzothiazol-2-yl-[1-[4-(4-methoxyphenoxy)butyl]-3-piperidyl]-methyl-amine; oxalate Formula: C26H31N3O6S-2 MolecularWeight: 513.60584

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCN(C1)CCCCOC2=CC=C(C=C2)OC)C3=NC4=CC=CC=C4S3.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CN(C1CCCN(C1)CCCCOC2=CC=C(C=C2)OC)C3=NC4=CC=CC=C4S3.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C24H31N3O2S.C2H2O4/c1-26(24-25-22-9-3-4-10-23(22)30-24)19-8-7-16-27(18-19)15-5-6-17-29-21-13-11-20(28-2)12-14-21;3-1(4)2(5)6/h3-4,9-14,19H,5-8,15-18H2,1-2H3;(H,3,4)(H,5,6)/p-2