methyl 3-(2-cyclohexylethanoylamino)-6-(morpholin-4-ium-4-ylmethyl)thieno[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 3-(2-cyclohexylethanoylamino)-6-(morpholin-4-ium-4-ylmethyl)thieno[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-[(2-cyclohexylacetyl)amino]-6-(morpholin-4-ium-4-ylmethyl)thieno[2,3-b]pyridine-2-carboxylate CAS Name: 3-[(2-cyclohexyl-1-oxoethyl)amino]-6-(4-morpholin-4-iumylmethyl)-2-thieno[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-[(2-cyclohexylacetyl)amino]-6-(morpholin-4-ium-4-ylmethyl)thieno[2,3-b]pyridine-2-carboxylate Traditional Name: 3-[(2-cyclohexylacetyl)amino]-6-(morpholin-4-ium-4-ylmethyl)thieno[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C22H30N3O4S+ MolecularWeight: 432.5563

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)N=C(C=C2)C[NH+]3CCOCC3)NC(=O)CC4CCCCC4

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)N=C(C=C2)C[NH+]3CCOCC3)NC(=O)CC4CCCCC4

InChI

InChI=1S/C22H29N3O4S/c1-28-22(27)20-19(24-18(26)13-15-5-3-2-4-6-15)17-8-7-16(23-21(17)30-20)14-25-9-11-29-12-10-25/h7-8,15H,2-6,9-14H2,1H3,(H,24,26)/p+1