7-methyl-N3,N5-bis(1-oxidanyl-3-phenyl-propan-2-yl)thieno[2,3-b]pyridin-7-ium-3,5-dicarboxamide

Systemtic Name: 7-methyl-N3,N5-bis(1-oxidanyl-3-phenyl-propan-2-yl)thieno[2,3-b]pyridin-7-ium-3,5-dicarboxamide Openeye Name: N3,N5-bis(1-benzyl-2-hydroxy-ethyl)-7-methyl-thieno[2,3-b]pyridin-7-ium-3,5-dicarboxamide CAS Name: N3,N5-bis(1-hydroxy-3-phenylpropan-2-yl)-7-methylthieno[2,3-b]pyridin-7-ium-3,5-dicarboxamide IUPAC Name: 3-N,5-N-bis(1-hydroxy-3-phenylpropan-2-yl)-7-methylthieno[2,3-b]pyridin-7-ium-3,5-dicarboxamide Traditional Name: N,N'-bis(1-benzyl-2-hydroxy-ethyl)-7-methyl-thieno[2,3-b]pyridin-7-ium-3,5-dicarboxamide Formula: C28H30N3O4S+ MolecularWeight: 504.6205

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C(=CC(=C1)C(=O)NC(CC3=CC=CC=C3)CO)C(=CS2)C(=O)NC(CC4=CC=CC=C4)CO

Isomeric SMILES

C[N+]1=C2C(=CC(=C1)C(=O)NC(CC3=CC=CC=C3)CO)C(=CS2)C(=O)NC(CC4=CC=CC=C4)CO

InChI

InChI=1S/C28H29N3O4S/c1-31-15-21(26(34)29-22(16-32)12-19-8-4-2-5-9-19)14-24-25(18-36-28(24)31)27(35)30-23(17-33)13-20-10-6-3-7-11-20/h2-11,14-15,18,22-23,32-33H,12-13,16-17H2,1H3,(H-,29,30,34,35)/p+1