ethyl 4-(methoxymethyl)-6-methyl-3-(2-piperidin-1-ium-1-ylethanoylamino)thieno[2,3-b]pyridine-2-carboxylate

Systemtic Name: ethyl 4-(methoxymethyl)-6-methyl-3-(2-piperidin-1-ium-1-ylethanoylamino)thieno[2,3-b]pyridine-2-carboxylate Openeye Name: ethyl 4-(methoxymethyl)-6-methyl-3-[(2-piperidin-1-ium-1-ylacetyl)amino]thieno[2,3-b]pyridine-2-carboxylate CAS Name: 4-(methoxymethyl)-6-methyl-3-[[1-oxo-2-(1-piperidin-1-iumyl)ethyl]amino]-2-thieno[2,3-b]pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(methoxymethyl)-6-methyl-3-[(2-piperidin-1-ium-1-ylacetyl)amino]thieno[2,3-b]pyridine-2-carboxylate Traditional Name: 4-(methoxymethyl)-6-methyl-3-[(2-piperidin-1-ium-1-ylacetyl)amino]thieno[2,3-b]pyridine-2-carboxylic acid ethyl ester Formula: C20H28N3O4S+ MolecularWeight: 406.51902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(C=C2COC)C)NC(=O)C[NH+]3CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(C=C2COC)C)NC(=O)C[NH+]3CCCCC3

InChI

InChI=1S/C20H27N3O4S/c1-4-27-20(25)18-17(22-15(24)11-23-8-6-5-7-9-23)16-14(12-26-3)10-13(2)21-19(16)28-18/h10H,4-9,11-12H2,1-3H3,(H,22,24)/p+1