methyl 3-[(5-methylthiophen-2-yl)carbonylamino]-6-(piperidin-1-ium-1-ylmethyl)thieno[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 3-[(5-methylthiophen-2-yl)carbonylamino]-6-(piperidin-1-ium-1-ylmethyl)thieno[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-[(5-methylthiophene-2-carbonyl)amino]-6-(piperidin-1-ium-1-ylmethyl)thieno[2,3-b]pyridine-2-carboxylate CAS Name: 3-[[(5-methyl-2-thiophenyl)-oxomethyl]amino]-6-(1-piperidin-1-iumylmethyl)-2-thieno[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-[(5-methylthiophene-2-carbonyl)amino]-6-(piperidin-1-ium-1-ylmethyl)thieno[2,3-b]pyridine-2-carboxylate Traditional Name: 3-[(5-methylthiophene-2-carbonyl)amino]-6-(piperidin-1-ium-1-ylmethyl)thieno[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C21H24N3O3S2+ MolecularWeight: 430.56356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)NC2=C(SC3=C2C=CC(=N3)C[NH+]4CCCCC4)C(=O)OC

Isomeric SMILES

CC1=CC=C(S1)C(=O)NC2=C(SC3=C2C=CC(=N3)C[NH+]4CCCCC4)C(=O)OC

InChI

InChI=1S/C21H23N3O3S2/c1-13-6-9-16(28-13)19(25)23-17-15-8-7-14(12-24-10-4-3-5-11-24)22-20(15)29-18(17)21(26)27-2/h6-9H,3-5,10-12H2,1-2H3,(H,23,25)/p+1