5,5,7,7-tetramethyl-2-(2-methylpropanoylamino)-4,6-dihydrothieno[2,3-c]pyridin-6-ium-3-carboxamide

Systemtic Name: 5,5,7,7-tetramethyl-2-(2-methylpropanoylamino)-4,6-dihydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Openeye Name: 5,5,7,7-tetramethyl-2-(2-methylpropanoylamino)-4,6-dihydrothieno[2,3-c]pyridin-6-ium-3-carboxamide CAS Name: 5,5,7,7-tetramethyl-2-[(2-methyl-1-oxopropyl)amino]-4,6-dihydrothieno[2,3-c]pyridin-6-ium-3-carboxamide IUPAC Name: 5,5,7,7-tetramethyl-2-(2-methylpropanoylamino)-4,6-dihydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Traditional Name: 2-(isobutyrylamino)-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Formula: C16H26N3O2S+ MolecularWeight: 324.46154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=C(C2=C(S1)C([NH2+]C(C2)(C)C)(C)C)C(=O)N

Isomeric SMILES

CC(C)C(=O)NC1=C(C2=C(S1)C([NH2+]C(C2)(C)C)(C)C)C(=O)N

InChI

InChI=1S/C16H25N3O2S/c1-8(2)13(21)18-14-10(12(17)20)9-7-15(3,4)19-16(5,6)11(9)22-14/h8,19H,7H2,1-6H3,(H2,17,20)(H,18,21)/p+1