ethyl 3-azanyl-4-[(phenylmethyl)amino]thieno[2,3-b]pyridin-7-ium-2-carboxylate

Systemtic Name: ethyl 3-azanyl-4-[(phenylmethyl)amino]thieno[2,3-b]pyridin-7-ium-2-carboxylate Openeye Name: ethyl 3-amino-4-(benzylamino)thieno[2,3-b]pyridin-7-ium-2-carboxylate CAS Name: 3-amino-4-[(phenylmethyl)amino]-2-thieno[2,3-b]pyridin-7-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 3-amino-4-(benzylamino)thieno[2,3-b]pyridin-7-ium-2-carboxylate Traditional Name: 3-amino-4-(benzylamino)thieno[2,3-b]pyridin-7-ium-2-carboxylic acid ethyl ester Formula: C17H18N3O2S+ MolecularWeight: 328.40872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=C[NH+]=C2S1)NCC3=CC=CC=C3)N

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=C[NH+]=C2S1)NCC3=CC=CC=C3)N

InChI

InChI=1S/C17H17N3O2S/c1-2-22-17(21)15-14(18)13-12(8-9-19-16(13)23-15)20-10-11-6-4-3-5-7-11/h3-9H,2,10,18H2,1H3,(H,19,20)/p+1