methyl 2-[(4-dimethylaminophenyl)carbonylamino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-6-ium-3-carboxylate

Systemtic Name: methyl 2-[(4-dimethylaminophenyl)carbonylamino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Openeye Name: methyl 2-[[4-(dimethylamino)benzoyl]amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-6-ium-3-carboxylate CAS Name: 2-[[(4-dimethylaminophenyl)-oxomethyl]amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-6-ium-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(dimethylamino)benzoyl]amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Traditional Name: 2-[[4-(dimethylamino)benzoyl]amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-6-ium-3-carboxylic acid methyl ester Formula: C22H30N3O3S+ MolecularWeight: 416.5569

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O3S/c1-21(2)12-15-16(20(27)28-7)19(29-17(15)22(3,4)24-21)23-18(26)13-8-10-14(11-9-13)25(5)6/h8-11,24H,12H2,1-7H3,(H,23,26)/p+1