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

Systemtic Name: ethanedioate; N-methyl-N-[1-(4-phenoxybutyl)piperidin-3-yl]-1,3-benzothiazol-2-amine Openeye Name: N-methyl-N-[1-(4-phenoxybutyl)-3-piperidyl]-1,3-benzothiazol-2-amine; oxalate CAS Name: N-methyl-N-[1-(4-phenoxybutyl)-3-piperidinyl]-1,3-benzothiazol-2-amine; oxalate IUPAC Name: N-methyl-N-[1-(4-phenoxybutyl)piperidin-3-yl]-1,3-benzothiazol-2-amine; oxalate Traditional Name: 1,3-benzothiazol-2-yl-methyl-[1-(4-phenoxybutyl)-3-piperidyl]amine; oxalate Formula: C25H29N3O5S-2 MolecularWeight: 483.57986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3OS.C2H2O4/c1-25(23-24-21-13-5-6-14-22(21)28-23)19-10-9-16-26(18-19)15-7-8-17-27-20-11-3-2-4-12-20;3-1(4)2(5)6/h2-6,11-14,19H,7-10,15-18H2,1H3;(H,3,4)(H,5,6)/p-2