ethyl 2-[2-(4-methylpiperidin-1-ium-1-yl)ethanoylamino]-4-thiophen-2-yl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(4-methylpiperidin-1-ium-1-yl)ethanoylamino]-4-thiophen-2-yl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-methylpiperidin-1-ium-1-yl)acetyl]amino]-4-(2-thienyl)thiophene-3-carboxylate CAS Name: 2-[[2-(4-methyl-1-piperidin-1-iumyl)-1-oxoethyl]amino]-4-thiophen-2-yl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-methylpiperidin-1-ium-1-yl)acetyl]amino]-4-thiophen-2-ylthiophene-3-carboxylate Traditional Name: 2-[[2-(4-methylpiperidin-1-ium-1-yl)acetyl]amino]-4-(2-thienyl)thiophene-3-carboxylic acid ethyl ester Formula: C19H25N2O3S2+ MolecularWeight: 393.5434

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CS2)NC(=O)C[NH+]3CCC(CC3)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CS2)NC(=O)C[NH+]3CCC(CC3)C

InChI

InChI=1S/C19H24N2O3S2/c1-3-24-19(23)17-14(15-5-4-10-25-15)12-26-18(17)20-16(22)11-21-8-6-13(2)7-9-21/h4-5,10,12-13H,3,6-9,11H2,1-2H3,(H,20,22)/p+1