[2-[6-(dimethylamino)hexylamino]pyridin-3-yl]-thiophen-2-yl-methanone; ethanedioic acid

Systemtic Name: [2-[6-(dimethylamino)hexylamino]pyridin-3-yl]-thiophen-2-yl-methanone; ethanedioic acid Openeye Name: [2-[6-(dimethylamino)hexylamino]-3-pyridyl]-(2-thienyl)methanone; oxalic acid CAS Name: [2-[6-(dimethylamino)hexylamino]-3-pyridinyl]-thiophen-2-ylmethanone; oxalic acid IUPAC Name: [2-[6-(dimethylamino)hexylamino]pyridin-3-yl]-thiophen-2-ylmethanone; oxalic acid Traditional Name: [2-[6-(dimethylamino)hexylamino]-3-pyridyl]-(2-thienyl)methanone; oxalic acid Formula: C20H27N3O5S MolecularWeight: 421.51048

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCCCCNC1=C(C=CC=N1)C(=O)C2=CC=CS2.C(=O)(C(=O)O)O

Isomeric SMILES

CN(C)CCCCCCNC1=C(C=CC=N1)C(=O)C2=CC=CS2.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H25N3OS.C2H2O4/c1-21(2)13-6-4-3-5-11-19-18-15(9-7-12-20-18)17(22)16-10-8-14-23-16;3-1(4)2(5)6/h7-10,12,14H,3-6,11,13H2,1-2H3,(H,19,20);(H,3,4)(H,5,6)