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

Systemtic Name: 5,5,7,7-tetramethyl-2-(pentanoylamino)-4,6-dihydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Openeye Name: 5,5,7,7-tetramethyl-2-(pentanoylamino)-4,6-dihydrothieno[2,3-c]pyridin-6-ium-3-carboxamide CAS Name: 5,5,7,7-tetramethyl-2-(1-oxopentylamino)-4,6-dihydrothieno[2,3-c]pyridin-6-ium-3-carboxamide IUPAC Name: 5,5,7,7-tetramethyl-2-(pentanoylamino)-4,6-dihydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Traditional Name: 5,5,7,7-tetramethyl-2-(valerylamino)-4,6-dihydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Formula: C17H28N3O2S+ MolecularWeight: 338.48812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O2S/c1-6-7-8-11(21)19-15-12(14(18)22)10-9-16(2,3)20-17(4,5)13(10)23-15/h20H,6-9H2,1-5H3,(H2,18,22)(H,19,21)/p+1