6-propan-2-yl-2-[(4-propan-2-yloxyphenyl)carbonylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide

Systemtic Name: 6-propan-2-yl-2-[(4-propan-2-yloxyphenyl)carbonylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Openeye Name: 2-[(4-isopropoxybenzoyl)amino]-6-isopropyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide CAS Name: 2-[[oxo-(4-propan-2-yloxyphenyl)methyl]amino]-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide IUPAC Name: 6-propan-2-yl-2-[(4-propan-2-yloxybenzoyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Traditional Name: 2-[(4-isopropoxybenzoyl)amino]-6-isopropyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC=C(C=C3)OC(C)C

Isomeric SMILES

CC(C)[NH+]1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC=C(C=C3)OC(C)C

InChI

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