ethanedioic acid; N-(6-piperidin-1-ylhexyl)-1,3-benzothiazol-2-amine

Systemtic Name: ethanedioic acid; N-(6-piperidin-1-ylhexyl)-1,3-benzothiazol-2-amine Openeye Name: oxalic acid; N-[6-(1-piperidyl)hexyl]-1,3-benzothiazol-2-amine CAS Name: oxalic acid; N-[6-(1-piperidinyl)hexyl]-1,3-benzothiazol-2-amine IUPAC Name: oxalic acid; N-(6-piperidin-1-ylhexyl)-1,3-benzothiazol-2-amine Traditional Name: 1,3-benzothiazol-2-yl(6-piperidinohexyl)amine; oxalic acid Formula: C22H31N3O8S MolecularWeight: 497.56184

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCCCCNC2=NC3=CC=CC=C3S2.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCN(CC1)CCCCCCNC2=NC3=CC=CC=C3S2.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H27N3S.2C2H2O4/c1(2-7-13-21-14-8-3-9-15-21)6-12-19-18-20-16-10-4-5-11-17(16)22-18;2*3-1(4)2(5)6/h4-5,10-11H,1-3,6-9,12-15H2,(H,19,20);2*(H,3,4)(H,5,6)