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

Systemtic Name: 2-[(4-tert-butylphenyl)carbonylamino]-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Openeye Name: 2-[(4-tert-butylbenzoyl)amino]-6-isopropyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide CAS Name: 2-[[(4-tert-butylphenyl)-oxomethyl]amino]-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide IUPAC Name: 2-[(4-tert-butylbenzoyl)amino]-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Traditional Name: 2-[(4-tert-butylbenzoyl)amino]-6-isopropyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Formula: C22H30N3O2S+ MolecularWeight: 400.5575

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O2S/c1-13(2)25-11-10-16-17(12-25)28-21(18(16)19(23)26)24-20(27)14-6-8-15(9-7-14)22(3,4)5/h6-9,13H,10-12H2,1-5H3,(H2,23,26)(H,24,27)/p+1