6-azanyl-2-(4-fluorophenyl)-N-(2-methylphenyl)thieno[2,3-b]pyridin-7-ium-3-carboxamide

Systemtic Name: 6-azanyl-2-(4-fluorophenyl)-N-(2-methylphenyl)thieno[2,3-b]pyridin-7-ium-3-carboxamide Openeye Name: 6-amino-2-(4-fluorophenyl)-N-(o-tolyl)thieno[2,3-b]pyridin-7-ium-3-carboxamide CAS Name: 6-amino-2-(4-fluorophenyl)-N-(2-methylphenyl)-3-thieno[2,3-b]pyridin-7-iumcarboxamide IUPAC Name: 6-amino-2-(4-fluorophenyl)-N-(2-methylphenyl)thieno[2,3-b]pyridin-7-ium-3-carboxamide Traditional Name: 6-amino-2-(4-fluorophenyl)-N-(o-tolyl)thieno[2,3-b]pyridin-7-ium-3-carboxamide Formula: C21H17FN3OS+ MolecularWeight: 378.442583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2=C(SC3=C2C=CC(=[NH+]3)N)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2=C(SC3=C2C=CC(=[NH+]3)N)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H16FN3OS/c1-12-4-2-3-5-16(12)24-20(26)18-15-10-11-17(23)25-21(15)27-19(18)13-6-8-14(22)9-7-13/h2-11H,1H3,(H2,23,25)(H,24,26)/p+1