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

Systemtic Name: 5,5,7,7-tetramethyl-2-(3-phenoxypropanoylamino)-4,6-dihydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Openeye Name: 5,5,7,7-tetramethyl-2-(3-phenoxypropanoylamino)-4,6-dihydrothieno[2,3-c]pyridin-6-ium-3-carboxamide CAS Name: 5,5,7,7-tetramethyl-2-[(1-oxo-3-phenoxypropyl)amino]-4,6-dihydrothieno[2,3-c]pyridin-6-ium-3-carboxamide IUPAC Name: 5,5,7,7-tetramethyl-2-(3-phenoxypropanoylamino)-4,6-dihydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Traditional Name: 5,5,7,7-tetramethyl-2-(3-phenoxypropanoylamino)-4,6-dihydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C([NH2+]1)(C)C)SC(=C2C(=O)N)NC(=O)CCOC3=CC=CC=C3)C

Isomeric SMILES

CC1(CC2=C(C([NH2+]1)(C)C)SC(=C2C(=O)N)NC(=O)CCOC3=CC=CC=C3)C

InChI

InChI=1S/C21H27N3O3S/c1-20(2)12-14-16(18(22)26)19(28-17(14)21(3,4)24-20)23-15(25)10-11-27-13-8-6-5-7-9-13/h5-9,24H,10-12H2,1-4H3,(H2,22,26)(H,23,25)/p+1